(2S)-2-[(4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]propanoic acid

C14H14N2O5 — CID 54681675

IUPAC(2S)-2-[(4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]propanoic acid
SMILESC[C@H](NC(=O)c1c(O)c2ccccc2n(C)c1=O)C(=O)O
InChIInChI=1S/C14H14N2O5/c1-7(14(20)21)15-12(18)10-11(17)8-5-3-4-6-9(8)16(2)13(10)19/h3-7,17H,1-2H3,(H,15,18)(H,20,21)/t7-/m0/s1
InChIKeyDHRMXCZYTHDBIP-ZETCQYMHSA-N
MW290.28 g/mol
LogP0.45
Rot. Bonds3

About (2S)-2-[(4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]propanoic acid

(2S)-2-[(4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]propanoic acid (PubChem CID 54681675) has the molecular formula C14H14N2O5 and a molecular weight of 290.28 g/mol. Its IUPAC name is (2S)-2-[(4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[(4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]propanoic acid
PubChem CID54681675
Molecular FormulaC14H14N2O5
Molecular Weight290.28 g/mol
Exact Mass290.09
IUPAC Name(2S)-2-[(4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]propanoic acid
SMILESC[C@H](NC(=O)c1c(O)c2ccccc2n(C)c1=O)C(=O)O
InChIInChI=1S/C14H14N2O5/c1-7(14(20)21)15-12(18)10-11(17)8-5-3-4-6-9(8)16(2)13(10)19/h3-7,17H,1-2H3,(H,15,18)(H,20,21)/t7-/m0/s1
InChIKeyDHRMXCZYTHDBIP-ZETCQYMHSA-N
XLogP0.45
TPSA108.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[[4-hydroxy-1-methyl-2-oxo-7-(trifluoromethyl)quinoline-3-carbonyl]amino]propanoic acid
CID 59340081
4-hydroxy-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide
CID 54676449
2-[(4-hydroxy-8-methoxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]propanoic acid
CID 67388041
3-acetyl-4-hydroxy-1-methylquinolin-2-one
CID 54697138
3-[4-hydroxy-2-oxo-3-(propan-2-ylcarbamoyl)quinolin-1-yl]propanoic acid
CID 71740510
N-[2-(ethylamino)ethyl]-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxamide;hydrochloride
CID 56684063
4-hydroxy-1-methyl-2-oxo-N-(4-phenyl-1,3-thiazol-2-yl)quinoline-3-carboxamide
CID 54687744
N-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxamide
CID 54697635
methyl (2S)-2-[(7-fluoro-4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]propanoate
CID 54712188
(2S)-2-[(4-hydroxy-1-methylindole-2-carbonyl)amino]propanoic acid
CID 110835775
4-hydroxy-1-methyl-2-oxo-N-(2-sulfamoylphenyl)quinoline-3-carboxamide
CID 54676685
4-hydroxy-1-methyl-2-oxo-N-[2-(trifluoromethyl)phenyl]quinoline-3-carboxamide
CID 54676662

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]propanoic acid?
The IUPAC name of (2S)-2-[(4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]propanoic acid (CID 54681675) is (2S)-2-[(4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for (2S)-2-[(4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]propanoic acid?
The canonical SMILES for (2S)-2-[(4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]propanoic acid is C[C@H](NC(=O)c1c(O)c2ccccc2n(C)c1=O)C(=O)O.
What is the InChIKey of (2S)-2-[(4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]propanoic acid?
The InChIKey is DHRMXCZYTHDBIP-ZETCQYMHSA-N. The full InChI is InChI=1S/C14H14N2O5/c1-7(14(20)21)15-12(18)10-11(17)8-5-3-4-6-9(8)16(2)13(10)19/h3-7,17H,1-2H3,(H,15,18)(H,20,21)/t7-/m0/s1.
What are the key properties of (2S)-2-[(4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]propanoic acid?
(2S)-2-[(4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]propanoic acid has a molecular weight of 290.28 g/mol, XLogP of 0.45, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 54681675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).