2-[(3-hydroxy-4-methoxybenzoyl)amino]pentanoic acid

C13H17NO5 — CID 79726159

IUPAC2-[(3-hydroxy-4-methoxybenzoyl)amino]pentanoic acid
SMILESCCCC(NC(=O)c1ccc(OC)c(O)c1)C(=O)O
InChIInChI=1S/C13H17NO5/c1-3-4-9(13(17)18)14-12(16)8-5-6-11(19-2)10(15)7-8/h5-7,9,15H,3-4H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyMIYOCGRRYMJVOB-UHFFFAOYSA-N
MW267.28 g/mol
LogP1.38
Rot. Bonds6

About 2-[(3-hydroxy-4-methoxybenzoyl)amino]pentanoic acid

2-[(3-hydroxy-4-methoxybenzoyl)amino]pentanoic acid (PubChem CID 79726159) has the molecular formula C13H17NO5 and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-[(3-hydroxy-4-methoxybenzoyl)amino]pentanoic acid.

Molecular Properties

Compound Name2-[(3-hydroxy-4-methoxybenzoyl)amino]pentanoic acid
PubChem CID79726159
Molecular FormulaC13H17NO5
Molecular Weight267.28 g/mol
Exact Mass267.11
IUPAC Name2-[(3-hydroxy-4-methoxybenzoyl)amino]pentanoic acid
SMILESCCCC(NC(=O)c1ccc(OC)c(O)c1)C(=O)O
InChIInChI=1S/C13H17NO5/c1-3-4-9(13(17)18)14-12(16)8-5-6-11(19-2)10(15)7-8/h5-7,9,15H,3-4H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyMIYOCGRRYMJVOB-UHFFFAOYSA-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

(2S)-2-[(3-hydroxy-4-methoxybenzoyl)amino]hexanoic acid
CID 107144546
N-hexan-3-yl-3-hydroxy-4-methoxybenzamide
CID 79672456
2-[(3,5-dimethoxy-4-methylbenzoyl)amino]pentanoic acid
CID 43630471
2-[(3-methoxy-4-nitrobenzoyl)amino]pentanoic acid
CID 83767973
(2R)-2-[(3-chloro-4-hydroxybenzoyl)amino]pentanoic acid
CID 107563234
(2S)-2-[(3,4-dimethoxybenzoyl)amino]-4-hydroxybutanoic acid
CID 107822287
2-[(4-ethoxy-3-methoxybenzoyl)amino]-4-methoxybutanoic acid
CID 120702980
2-[[4-(propan-2-ylcarbamoyl)benzoyl]amino]pentanoic acid
CID 120534623
(2R)-2-[(4-hydroxybenzoyl)amino]pentanoic acid
CID 107563370
N-ethyl-3-hydroxy-4-methoxybenzamide
CID 79600193
(2R)-2-[(3-bromo-4-methoxybenzoyl)amino]-4-hydroxybutanoic acid
CID 114005012
(2S)-2-[(3,4-dimethoxybenzoyl)amino]-4-methylsulfanylbutanoic acid
CID 2190462

Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxy-4-methoxybenzoyl)amino]pentanoic acid?
The IUPAC name of 2-[(3-hydroxy-4-methoxybenzoyl)amino]pentanoic acid (CID 79726159) is 2-[(3-hydroxy-4-methoxybenzoyl)amino]pentanoic acid.
What is the SMILES notation for 2-[(3-hydroxy-4-methoxybenzoyl)amino]pentanoic acid?
The canonical SMILES for 2-[(3-hydroxy-4-methoxybenzoyl)amino]pentanoic acid is CCCC(NC(=O)c1ccc(OC)c(O)c1)C(=O)O.
What is the InChIKey of 2-[(3-hydroxy-4-methoxybenzoyl)amino]pentanoic acid?
The InChIKey is MIYOCGRRYMJVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO5/c1-3-4-9(13(17)18)14-12(16)8-5-6-11(19-2)10(15)7-8/h5-7,9,15H,3-4H2,1-2H3,(H,14,16)(H,17,18).
What are the key properties of 2-[(3-hydroxy-4-methoxybenzoyl)amino]pentanoic acid?
2-[(3-hydroxy-4-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 2-[(3-hydroxy-4-methoxybenzoyl)amino]pentanoic acid is sourced from PubChem (CID 79726159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).