(2S)-2-hydroxy-4-[(2-methylquinoline-4-carbonyl)amino]butanoic acid

C15H16N2O4 — CID 107834591

IUPAC(2S)-2-hydroxy-4-[(2-methylquinoline-4-carbonyl)amino]butanoic acid
SMILESCc1cc(C(=O)NCC[C@H](O)C(=O)O)c2ccccc2n1
InChIInChI=1S/C15H16N2O4/c1-9-8-11(10-4-2-3-5-12(10)17-9)14(19)16-7-6-13(18)15(20)21/h2-5,8,13,18H,6-7H2,1H3,(H,16,19)(H,20,21)/t13-/m0/s1
InChIKeyMBCRHPRUYOOVIH-ZDUSSCGKSA-N
MW288.30 g/mol
LogP1.11
Rot. Bonds5

About (2S)-2-hydroxy-4-[(2-methylquinoline-4-carbonyl)amino]butanoic acid

(2S)-2-hydroxy-4-[(2-methylquinoline-4-carbonyl)amino]butanoic acid (PubChem CID 107834591) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is (2S)-2-hydroxy-4-[(2-methylquinoline-4-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name(2S)-2-hydroxy-4-[(2-methylquinoline-4-carbonyl)amino]butanoic acid
PubChem CID107834591
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name(2S)-2-hydroxy-4-[(2-methylquinoline-4-carbonyl)amino]butanoic acid
SMILESCc1cc(C(=O)NCC[C@H](O)C(=O)O)c2ccccc2n1
InChIInChI=1S/C15H16N2O4/c1-9-8-11(10-4-2-3-5-12(10)17-9)14(19)16-7-6-13(18)15(20)21/h2-5,8,13,18H,6-7H2,1H3,(H,16,19)(H,20,21)/t13-/m0/s1
InChIKeyMBCRHPRUYOOVIH-ZDUSSCGKSA-N
XLogP1.11
TPSA99.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-benzamidoethyl)-2-methylquinoline-4-carboxamide
CID 38202874
methyl 2-hydroxy-3-[(2-methylquinoline-4-carbonyl)amino]propanoate
CID 103879325
N-(5-iodopentyl)-2-methylquinoline-4-carboxamide
CID 107322663
2-hydroxy-4-(naphthalene-1-carbonylamino)butanoic acid
CID 107832638
N-[(2R,4S)-4-hydroxy-2-methylpentyl]-2-methylquinoline-4-carboxamide
CID 95775157
N-[2-(cyclopropylamino)ethyl]-2-methylquinoline-4-carboxamide
CID 62664736
N-(cyanomethyl)-2-methylquinoline-4-carboxamide
CID 51890088
N-[2-(azepan-1-yl)ethyl]-2-methylquinoline-4-carboxamide
CID 46291441
2-methyl-N-(5-methylhexan-2-yl)quinoline-4-carboxamide
CID 4877911
methyl 2-iodo-3-[(2-methylquinoline-4-carbonyl)amino]propanoate
CID 103493219
N-(2-cyanopropyl)-2-methylquinoline-4-carboxamide
CID 55101906
N-(4-aminobutan-2-yl)-2-methylquinoline-4-carboxamide
CID 62094391

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-4-[(2-methylquinoline-4-carbonyl)amino]butanoic acid?
The IUPAC name of (2S)-2-hydroxy-4-[(2-methylquinoline-4-carbonyl)amino]butanoic acid (CID 107834591) is (2S)-2-hydroxy-4-[(2-methylquinoline-4-carbonyl)amino]butanoic acid.
What is the SMILES notation for (2S)-2-hydroxy-4-[(2-methylquinoline-4-carbonyl)amino]butanoic acid?
The canonical SMILES for (2S)-2-hydroxy-4-[(2-methylquinoline-4-carbonyl)amino]butanoic acid is Cc1cc(C(=O)NCC[C@H](O)C(=O)O)c2ccccc2n1.
What is the InChIKey of (2S)-2-hydroxy-4-[(2-methylquinoline-4-carbonyl)amino]butanoic acid?
The InChIKey is MBCRHPRUYOOVIH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-9-8-11(10-4-2-3-5-12(10)17-9)14(19)16-7-6-13(18)15(20)21/h2-5,8,13,18H,6-7H2,1H3,(H,16,19)(H,20,21)/t13-/m0/s1.
What are the key properties of (2S)-2-hydroxy-4-[(2-methylquinoline-4-carbonyl)amino]butanoic acid?
(2S)-2-hydroxy-4-[(2-methylquinoline-4-carbonyl)amino]butanoic acid has a molecular weight of 288.30 g/mol, XLogP of 1.11, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-4-[(2-methylquinoline-4-carbonyl)amino]butanoic acid is sourced from PubChem (CID 107834591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).