(2S)-4-hydroxy-2-(quinoline-6-carbonylamino)butanoic acid

C14H14N2O4 — CID 107821934

IUPAC(2S)-4-hydroxy-2-(quinoline-6-carbonylamino)butanoic acid
SMILESO=C(N[C@@H](CCO)C(=O)O)c1ccc2ncccc2c1
InChIInChI=1S/C14H14N2O4/c17-7-5-12(14(19)20)16-13(18)10-3-4-11-9(8-10)2-1-6-15-11/h1-4,6,8,12,17H,5,7H2,(H,16,18)(H,19,20)/t12-/m0/s1
InChIKeyISOUPHFJTNNTEO-LBPRGKRZSA-N
MW274.28 g/mol
LogP0.80
Rot. Bonds5

About (2S)-4-hydroxy-2-(quinoline-6-carbonylamino)butanoic acid

(2S)-4-hydroxy-2-(quinoline-6-carbonylamino)butanoic acid (PubChem CID 107821934) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is (2S)-4-hydroxy-2-(quinoline-6-carbonylamino)butanoic acid.

Molecular Properties

Compound Name(2S)-4-hydroxy-2-(quinoline-6-carbonylamino)butanoic acid
PubChem CID107821934
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name(2S)-4-hydroxy-2-(quinoline-6-carbonylamino)butanoic acid
SMILESO=C(N[C@@H](CCO)C(=O)O)c1ccc2ncccc2c1
InChIInChI=1S/C14H14N2O4/c17-7-5-12(14(19)20)16-13(18)10-3-4-11-9(8-10)2-1-6-15-11/h1-4,6,8,12,17H,5,7H2,(H,16,18)(H,19,20)/t12-/m0/s1
InChIKeyISOUPHFJTNNTEO-LBPRGKRZSA-N
XLogP0.80
TPSA99.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(quinoline-6-carbonylamino)pentanoic acid
CID 62849349
2-(quinoline-6-carbonylamino)butanoic acid
CID 62848486
(2S)-2-(quinoline-6-carbonylamino)butanediamide
CID 70062244
N-(1-amino-1-hydroxyiminopentan-2-yl)quinoline-6-carboxamide
CID 76975230
2-(2H-benzotriazole-5-carbonylamino)-4-hydroxybutanoic acid
CID 61243320
N-(1-amino-1-hydroxyiminobutan-2-yl)quinoline-6-carboxamide
CID 76975214
2-methyl-3-(quinoline-6-carbonylamino)propanoic acid
CID 55126598
methyl 4-methyl-2-(quinoline-6-carbonylamino)pentanoate
CID 68954177
N-(1-aminopropan-2-yl)quinoline-6-carboxamide
CID 63730919
(2S)-4-hydroxy-2-[(3-iodobenzoyl)amino]butanoic acid
CID 107821988
2-[(3-bromobenzoyl)amino]-4-hydroxybutanoic acid
CID 61243644
4-hydroxy-2-[(3-hydroxypyridine-2-carbonyl)amino]butanoic acid
CID 61243452

Frequently Asked Questions

What is the IUPAC name of (2S)-4-hydroxy-2-(quinoline-6-carbonylamino)butanoic acid?
The IUPAC name of (2S)-4-hydroxy-2-(quinoline-6-carbonylamino)butanoic acid (CID 107821934) is (2S)-4-hydroxy-2-(quinoline-6-carbonylamino)butanoic acid.
What is the SMILES notation for (2S)-4-hydroxy-2-(quinoline-6-carbonylamino)butanoic acid?
The canonical SMILES for (2S)-4-hydroxy-2-(quinoline-6-carbonylamino)butanoic acid is O=C(N[C@@H](CCO)C(=O)O)c1ccc2ncccc2c1.
What is the InChIKey of (2S)-4-hydroxy-2-(quinoline-6-carbonylamino)butanoic acid?
The InChIKey is ISOUPHFJTNNTEO-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H14N2O4/c17-7-5-12(14(19)20)16-13(18)10-3-4-11-9(8-10)2-1-6-15-11/h1-4,6,8,12,17H,5,7H2,(H,16,18)(H,19,20)/t12-/m0/s1.
What are the key properties of (2S)-4-hydroxy-2-(quinoline-6-carbonylamino)butanoic acid?
(2S)-4-hydroxy-2-(quinoline-6-carbonylamino)butanoic acid has a molecular weight of 274.28 g/mol, XLogP of 0.80, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-hydroxy-2-(quinoline-6-carbonylamino)butanoic acid is sourced from PubChem (CID 107821934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).