(4S)-4-[(2-hydroxy-5-methoxybenzoyl)amino]pentanoic acid

C13H17NO5 — CID 95359062

IUPAC(4S)-4-[(2-hydroxy-5-methoxybenzoyl)amino]pentanoic acid
SMILESCOc1ccc(O)c(C(=O)N[C@@H](C)CCC(=O)O)c1
InChIInChI=1S/C13H17NO5/c1-8(3-6-12(16)17)14-13(18)10-7-9(19-2)4-5-11(10)15/h4-5,7-8,15H,3,6H2,1-2H3,(H,14,18)(H,16,17)/t8-/m0/s1
InChIKeyUANDQXDQUZFMKM-QMMMGPOBSA-N
MW267.28 g/mol
LogP1.38
Rot. Bonds6

About (4S)-4-[(2-hydroxy-5-methoxybenzoyl)amino]pentanoic acid

(4S)-4-[(2-hydroxy-5-methoxybenzoyl)amino]pentanoic acid (PubChem CID 95359062) has the molecular formula C13H17NO5 and a molecular weight of 267.28 g/mol. Its IUPAC name is (4S)-4-[(2-hydroxy-5-methoxybenzoyl)amino]pentanoic acid.

Molecular Properties

Compound Name(4S)-4-[(2-hydroxy-5-methoxybenzoyl)amino]pentanoic acid
PubChem CID95359062
Molecular FormulaC13H17NO5
Molecular Weight267.28 g/mol
Exact Mass267.11
IUPAC Name(4S)-4-[(2-hydroxy-5-methoxybenzoyl)amino]pentanoic acid
SMILESCOc1ccc(O)c(C(=O)N[C@@H](C)CCC(=O)O)c1
InChIInChI=1S/C13H17NO5/c1-8(3-6-12(16)17)14-13(18)10-7-9(19-2)4-5-11(10)15/h4-5,7-8,15H,3,6H2,1-2H3,(H,14,18)(H,16,17)/t8-/m0/s1
InChIKeyUANDQXDQUZFMKM-QMMMGPOBSA-N
XLogP1.38
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-aminopropan-2-yl)-2-hydroxy-5-methoxybenzamide
CID 63733200
N-(4-amino-4-oxobutan-2-yl)-2-hydroxy-5-methoxybenzamide
CID 113245854
(2S)-2-[(2-hydroxy-5-methoxybenzoyl)amino]-3-methylpentanoic acid
CID 61174665
2-hydroxy-N-(1-iodo-3-methylbutan-2-yl)-5-methoxybenzamide
CID 107859859
2-hydroxy-4-methoxy-N-(5-methylhexan-2-yl)benzamide
CID 43019441
N-(1-cyanoethyl)-2-hydroxy-5-methoxybenzamide
CID 55207961
methyl 3-hydroxy-2-[(2-hydroxy-5-methoxybenzoyl)amino]propanoate
CID 43422798
N-(1-aminopentan-3-yl)-2-hydroxy-5-methoxybenzamide
CID 62651239
N-(1-bromo-4,4-dimethylpentan-3-yl)-2-hydroxy-5-methoxybenzamide
CID 106356090
N-(1-amino-4,4-dimethylpentan-3-yl)-2-hydroxy-5-methoxybenzamide
CID 106357233
N-(dicyclopropylmethyl)-2-hydroxy-5-methoxybenzamide
CID 54943396
3-[(2,4-dimethoxybenzoyl)amino]butanoic acid
CID 43240643

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(2-hydroxy-5-methoxybenzoyl)amino]pentanoic acid?
The IUPAC name of (4S)-4-[(2-hydroxy-5-methoxybenzoyl)amino]pentanoic acid (CID 95359062) is (4S)-4-[(2-hydroxy-5-methoxybenzoyl)amino]pentanoic acid.
What is the SMILES notation for (4S)-4-[(2-hydroxy-5-methoxybenzoyl)amino]pentanoic acid?
The canonical SMILES for (4S)-4-[(2-hydroxy-5-methoxybenzoyl)amino]pentanoic acid is COc1ccc(O)c(C(=O)N[C@@H](C)CCC(=O)O)c1.
What is the InChIKey of (4S)-4-[(2-hydroxy-5-methoxybenzoyl)amino]pentanoic acid?
The InChIKey is UANDQXDQUZFMKM-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H17NO5/c1-8(3-6-12(16)17)14-13(18)10-7-9(19-2)4-5-11(10)15/h4-5,7-8,15H,3,6H2,1-2H3,(H,14,18)(H,16,17)/t8-/m0/s1.
What are the key properties of (4S)-4-[(2-hydroxy-5-methoxybenzoyl)amino]pentanoic acid?
(4S)-4-[(2-hydroxy-5-methoxybenzoyl)amino]pentanoic acid has a molecular weight of 267.28 g/mol, XLogP of 1.38, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(2-hydroxy-5-methoxybenzoyl)amino]pentanoic acid is sourced from PubChem (CID 95359062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).