(2R)-2-[(4-oxo-1H-quinoline-2-carbonyl)amino]propanoic acid

C13H12N2O4 — CID 54991567

IUPAC(2R)-2-[(4-oxo-1H-quinoline-2-carbonyl)amino]propanoic acid
SMILESC[C@@H](NC(=O)c1cc(=O)c2ccccc2[nH]1)C(=O)O
InChIInChI=1S/C13H12N2O4/c1-7(13(18)19)14-12(17)10-6-11(16)8-4-2-3-5-9(8)15-10/h2-7H,1H3,(H,14,17)(H,15,16)(H,18,19)/t7-/m1/s1
InChIKeyANCRIYKLFGCXMC-SSDOTTSWSA-N
MW260.25 g/mol
LogP0.73
Rot. Bonds3

About (2R)-2-[(4-oxo-1H-quinoline-2-carbonyl)amino]propanoic acid

(2R)-2-[(4-oxo-1H-quinoline-2-carbonyl)amino]propanoic acid (PubChem CID 54991567) has the molecular formula C13H12N2O4 and a molecular weight of 260.25 g/mol. Its IUPAC name is (2R)-2-[(4-oxo-1H-quinoline-2-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[(4-oxo-1H-quinoline-2-carbonyl)amino]propanoic acid
PubChem CID54991567
Molecular FormulaC13H12N2O4
Molecular Weight260.25 g/mol
Exact Mass260.08
IUPAC Name(2R)-2-[(4-oxo-1H-quinoline-2-carbonyl)amino]propanoic acid
SMILESC[C@@H](NC(=O)c1cc(=O)c2ccccc2[nH]1)C(=O)O
InChIInChI=1S/C13H12N2O4/c1-7(13(18)19)14-12(17)10-6-11(16)8-4-2-3-5-9(8)15-10/h2-7H,1H3,(H,14,17)(H,15,16)(H,18,19)/t7-/m1/s1
InChIKeyANCRIYKLFGCXMC-SSDOTTSWSA-N
XLogP0.73
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2R)-2-[(4-oxo-1H-quinoline-2-carbonyl)amino]propanoic acid with MolForge

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Related Compounds

4-hydroxy-2-[(4-oxo-1H-quinoline-2-carbonyl)amino]butanoic acid
CID 61244394
(2S)-2-[(4-oxo-1H-quinoline-2-carbonyl)amino]pentanoic acid
CID 107564052
2-cyclopropyl-2-[(4-oxo-1H-quinoline-2-carbonyl)amino]acetic acid
CID 62695160
(2S)-2-[(4-oxo-1H-quinoline-2-carbonyl)amino]pentanedioic acid
CID 151134503
N-ethyl-4-oxo-1H-quinoline-2-carboxamide
CID 47115379
4-oxo-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-quinoline-2-carboxamide
CID 103856696
2-[methyl-(4-oxo-1H-quinoline-2-carbonyl)amino]propanoic acid
CID 62625856
2-[(1-phenyl-9H-pyrido[3,4-b]indole-3-carbonyl)amino]propanoic acid
CID 6235795
acetamide;4-oxo-1H-quinoline-2-carboxylic acid
CID 160920347
N,N-dimethyl-4-oxo-1H-quinoline-2-carboxamide
CID 47120436
N-[(2R)-1-[[(2S,4R,5S)-4-hydroxy-5-[[(2R)-3-methyl-2-[(4-oxo-1H-quinoline-2-carbonyl)amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-4-oxo-1H-quinoline-2-carboxamide
CID 3005533
[(4-oxo-1H-quinoline-2-carbonyl)amino] butanoate
CID 154170770

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-oxo-1H-quinoline-2-carbonyl)amino]propanoic acid?
The IUPAC name of (2R)-2-[(4-oxo-1H-quinoline-2-carbonyl)amino]propanoic acid (CID 54991567) is (2R)-2-[(4-oxo-1H-quinoline-2-carbonyl)amino]propanoic acid.
What is the SMILES notation for (2R)-2-[(4-oxo-1H-quinoline-2-carbonyl)amino]propanoic acid?
The canonical SMILES for (2R)-2-[(4-oxo-1H-quinoline-2-carbonyl)amino]propanoic acid is C[C@@H](NC(=O)c1cc(=O)c2ccccc2[nH]1)C(=O)O.
What is the InChIKey of (2R)-2-[(4-oxo-1H-quinoline-2-carbonyl)amino]propanoic acid?
The InChIKey is ANCRIYKLFGCXMC-SSDOTTSWSA-N. The full InChI is InChI=1S/C13H12N2O4/c1-7(13(18)19)14-12(17)10-6-11(16)8-4-2-3-5-9(8)15-10/h2-7H,1H3,(H,14,17)(H,15,16)(H,18,19)/t7-/m1/s1.
What are the key properties of (2R)-2-[(4-oxo-1H-quinoline-2-carbonyl)amino]propanoic acid?
(2R)-2-[(4-oxo-1H-quinoline-2-carbonyl)amino]propanoic acid has a molecular weight of 260.25 g/mol, XLogP of 0.73, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-oxo-1H-quinoline-2-carbonyl)amino]propanoic acid is sourced from PubChem (CID 54991567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).