Carbamoylaspartic acid
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Carbamoylaspartic acid
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CAS No:
13184-27-5
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Formula:
C5H8N2O5
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Chemical Name:
Carbamoylaspartic acid
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Synonyms:
L-Aspartic acid,N-(aminocarbonyl)-;Aspartic acid,N-carbamoyl-,L-;N-(Aminocarbonyl)-L-aspartic acid;Carbamoylaspartic acid;Carbamylaspartic acid;N-Carbamoyl-(S)-aspartic acid;N-Carbamoyl-L-aspartic acid;L-Ureidosuccinic acid;N-Carbamoylaspartic acid;N-Carbamylaspartic acid;NSC 14983;(2S)-2-(Carbamoylamino)butanedioic acid;99418-91-4;124974-93-2;1116-06-9;70159-48-7
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CAS No:
Description
Solid
N-carbamoyl-L-aspartic acid is the L-enantiomer N-carbamoylaspartic acid. It has a role as a metabolite. It is a N-carbamoyl-L-amino acid, a N-carbamoylaspartic acid and a L-aspartic acid derivative. It is a conjugate acid of a N-carbamoyl-L-aspartate(2-).
Characteristics
174-175°C
3.7 mg/mL
139.1 Ų [M+Na]+ [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]
Safety Information
|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|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:176.13
XLogP3:-1.9
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:176.04332136
Monoisotopic Mass:176.04332136
Topological Polar Surface Area:130
Heavy Atom Count:12
Complexity:214
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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