Pyrrole-2-carboxylic acid
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Pyrrole-2-carboxylic acid
structure -
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CAS No:
634-97-9
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Formula:
C5H5NO2
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Chemical Name:
Pyrrole-2-carboxylic acid
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Synonyms:
1H-Pyrrole-2-carboxylic acid;Pyrrole-2-carboxylic acid;Minaline;Minalin;2-Minaline;2-Mialine;NSC 48130
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CAS No:
Description
Pyrrole-2-carboxylic acid is a natural alkaloid from the marine bacterium Pelomonas puraquae sp. Nov.
Solid
Pyrrole-2-carboxylic acid is a pyrrolecarboxylic acid that is 1H-pyrrole carrying a carboxy substituent at position 2. It has a role as a plant metabolite. It is a conjugate acid of a pyrrole-2-carboxylate.
Characteristics
53.1
0.8
Solid
1.4±0.1 g/cm3
206 °C (decomp)
340.3°C at 760 mmHg
159.6±20.4 °C
1.604
2.25e-06 mmHg
113.8 Ų [M-H]- [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|114.3 Ų [M-H]-
Safety Information
3
R36/37/38
S26-S36-S37/39
Xi:Irritant
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 46 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Pyrrole-2-carboxylic acid Use and Manufacturing
Pyrrole-2-carboxylic acid is small amphoteric polar metabolite produced by many Streptomyces species, often co-produced with its dimer, pyrocoll. Pyrrole-2-carboxylic acid is an important dereplication standard in discovery, displaying a distinctive UV spectrum and a broad range of biological activities, albeit weak. More recently, pyrrole-2-carboxylic has demonstrated antiparasitic activity against Trypanosomes by selective proline racemase inhibition and has potent antifungal activity against Phytophthora.
Computed Properties
Molecular Weight:111.10
XLogP3:0.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:111.032028402
Monoisotopic Mass:111.032028402
Topological Polar Surface Area:53.1
Heavy Atom Count:8
Complexity:103
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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