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(2S)-2-[(5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carbonyl)amino]-3-methyl-butanoicacid

(2S)-2-[(5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carbonyl)amino]-3-methyl-butanoicacid structure

CAS No:
956626-62-3
Formula:
C18H20N2O6
Chemical Name:
(2S)-2-[(5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carbonyl)amino]-3-methyl-butanoicacid
Synonyms:
(2S)-2-[(5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carbonyl)amino]-3-methyl-butanoic acid;L-Valine, N-[(5-ethyl-5,8-dihydro-8-oxo-1,3-dioxolo[4,5-g]quinolin-7-yl)carbonyl]-

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(2S)-2-[(5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carbonyl)amino]-3-methyl-butanoicacid Basic Attributes

Molecular Weight：

360.36

Exact Mass：

360.132

Characteristics

PSA：

106.86

XLogP3：

1.98

Density：

1.358±0.06 g/cm3

Melting Point：

225-227 °C(Solv: ethanol (64-17-5))

Boiling Point：

633.6±55.0 °C(Predicted)

PKA：

3.61±0.10

Computed Properties

Molecular Weight:360.4
XLogP3:2.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:360.13213636
Monoisotopic Mass:360.13213636
Topological Polar Surface Area:105
Heavy Atom Count:26
Complexity:631
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (2S)-2-[(5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carbonyl)amino]-3-methyl-butanoicacid

Basic Attributes
Characteristics
Computed Properties

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