(2S)-3-hydroxy-2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]propanoic acid

C13H14N2O5 — CID 102710665

IUPAC(2S)-3-hydroxy-2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]propanoic acid
SMILESO=C1CCc2cc(C(=O)N[C@@H](CO)C(=O)O)ccc2N1
InChIInChI=1S/C13H14N2O5/c16-6-10(13(19)20)15-12(18)8-1-3-9-7(5-8)2-4-11(17)14-9/h1,3,5,10,16H,2,4,6H2,(H,14,17)(H,15,18)(H,19,20)/t10-/m0/s1
InChIKeyIMMBRYVERUSLDF-JTQLQIEISA-N
MW278.26 g/mol
LogP-0.25
Rot. Bonds4

About (2S)-3-hydroxy-2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]propanoic acid

(2S)-3-hydroxy-2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]propanoic acid (PubChem CID 102710665) has the molecular formula C13H14N2O5 and a molecular weight of 278.26 g/mol. Its IUPAC name is (2S)-3-hydroxy-2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name(2S)-3-hydroxy-2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]propanoic acid
PubChem CID102710665
Molecular FormulaC13H14N2O5
Molecular Weight278.26 g/mol
Exact Mass278.09
IUPAC Name(2S)-3-hydroxy-2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]propanoic acid
SMILESO=C1CCc2cc(C(=O)N[C@@H](CO)C(=O)O)ccc2N1
InChIInChI=1S/C13H14N2O5/c16-6-10(13(19)20)15-12(18)8-1-3-9-7(5-8)2-4-11(17)14-9/h1,3,5,10,16H,2,4,6H2,(H,14,17)(H,15,18)(H,19,20)/t10-/m0/s1
InChIKeyIMMBRYVERUSLDF-JTQLQIEISA-N
XLogP-0.25
TPSA115.73 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 5-0.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (2S)-3-hydroxy-2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]propanoic acid with MolForge

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Related Compounds

3-methoxy-2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]propanoic acid
CID 102710812
4-methoxy-2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]butanoic acid
CID 120703080
3,3-dimethyl-2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]butanoic acid
CID 102553283
3-(1H-indol-3-yl)-2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]propanoic acid
CID 119201550
2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]acetic acid
CID 82480129
N-[1-(hydroxymethyl)cyclopentyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 103863291
N-(1,2-diphenylethyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 46564543
N-(2-methyl-1-phenylpropyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 24625536
2-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]pent-4-ynoic acid
CID 102710831
N-(1,3-dihydroxypropan-2-yl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 113429194
N-(1-methoxypentan-2-yl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 102712434
N-(1-naphthalen-1-ylethyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 86911762

Frequently Asked Questions

What is the IUPAC name of (2S)-3-hydroxy-2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]propanoic acid?
The IUPAC name of (2S)-3-hydroxy-2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]propanoic acid (CID 102710665) is (2S)-3-hydroxy-2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]propanoic acid.
What is the SMILES notation for (2S)-3-hydroxy-2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]propanoic acid?
The canonical SMILES for (2S)-3-hydroxy-2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]propanoic acid is O=C1CCc2cc(C(=O)N[C@@H](CO)C(=O)O)ccc2N1.
What is the InChIKey of (2S)-3-hydroxy-2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]propanoic acid?
The InChIKey is IMMBRYVERUSLDF-JTQLQIEISA-N. The full InChI is InChI=1S/C13H14N2O5/c16-6-10(13(19)20)15-12(18)8-1-3-9-7(5-8)2-4-11(17)14-9/h1,3,5,10,16H,2,4,6H2,(H,14,17)(H,15,18)(H,19,20)/t10-/m0/s1.
What are the key properties of (2S)-3-hydroxy-2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]propanoic acid?
(2S)-3-hydroxy-2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]propanoic acid has a molecular weight of 278.26 g/mol, XLogP of -0.25, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-hydroxy-2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]propanoic acid is sourced from PubChem (CID 102710665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).