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

C14H19NO6 — CID 81085345

IUPAC2-[(2-hydroxy-4-methoxybenzoyl)amino]-5-methoxypentanoic acid
SMILESCOCCCC(NC(=O)c1ccc(OC)cc1O)C(=O)O
InChIInChI=1S/C14H19NO6/c1-20-7-3-4-11(14(18)19)15-13(17)10-6-5-9(21-2)8-12(10)16/h5-6,8,11,16H,3-4,7H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyOKSQWEZSXZPITF-UHFFFAOYSA-N
MW297.31 g/mol
LogP1.01
Rot. Bonds8

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

2-[(2-hydroxy-4-methoxybenzoyl)amino]-5-methoxypentanoic acid (PubChem CID 81085345) has the molecular formula C14H19NO6 and a molecular weight of 297.31 g/mol. Its IUPAC name is 2-[(2-hydroxy-4-methoxybenzoyl)amino]-5-methoxypentanoic acid.

Molecular Properties

Compound Name2-[(2-hydroxy-4-methoxybenzoyl)amino]-5-methoxypentanoic acid
PubChem CID81085345
Molecular FormulaC14H19NO6
Molecular Weight297.31 g/mol
Exact Mass297.12
IUPAC Name2-[(2-hydroxy-4-methoxybenzoyl)amino]-5-methoxypentanoic acid
SMILESCOCCCC(NC(=O)c1ccc(OC)cc1O)C(=O)O
InChIInChI=1S/C14H19NO6/c1-20-7-3-4-11(14(18)19)15-13(17)10-6-5-9(21-2)8-12(10)16/h5-6,8,11,16H,3-4,7H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyOKSQWEZSXZPITF-UHFFFAOYSA-N
XLogP1.01
TPSA105.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-hydroxy-2-[(2-hydroxy-4-methoxybenzoyl)amino]butanoic acid
CID 61243996
2-[(2-hydroxy-4-methoxybenzoyl)amino]-4-methylsulfanylbutanoic acid
CID 24697031
5-methoxy-2-[(4-methoxybenzoyl)amino]pentanoic acid
CID 81077484
4-methoxy-2-[(4-methoxy-2-methylbenzoyl)amino]butanoic acid
CID 120703108
2-[(2,4-dimethoxybenzoyl)amino]-4-methoxybutanoic acid
CID 62480344
2-[(2-amino-4-methoxybenzoyl)amino]-4-methoxybutanoic acid
CID 115413154
2-hydroxy-4-methoxy-N-(3-methoxypropyl)benzamide
CID 43090058
2-[(2,5-dimethoxybenzoyl)amino]hexanoic acid
CID 43387107
2-hydroxy-4-methoxy-N-(5-methylhexan-2-yl)benzamide
CID 43019441
(2R)-2-[(2,4-dihydroxybenzoyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107820519
2-[(2,5-dimethylbenzoyl)amino]-5-methoxypentanoic acid
CID 81076484
5-methoxy-2-[(2-methylfuran-3-carbonyl)amino]pentanoic acid
CID 81076834

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-4-methoxybenzoyl)amino]-5-methoxypentanoic acid?
The IUPAC name of 2-[(2-hydroxy-4-methoxybenzoyl)amino]-5-methoxypentanoic acid (CID 81085345) is 2-[(2-hydroxy-4-methoxybenzoyl)amino]-5-methoxypentanoic acid.
What is the SMILES notation for 2-[(2-hydroxy-4-methoxybenzoyl)amino]-5-methoxypentanoic acid?
The canonical SMILES for 2-[(2-hydroxy-4-methoxybenzoyl)amino]-5-methoxypentanoic acid is COCCCC(NC(=O)c1ccc(OC)cc1O)C(=O)O.
What is the InChIKey of 2-[(2-hydroxy-4-methoxybenzoyl)amino]-5-methoxypentanoic acid?
The InChIKey is OKSQWEZSXZPITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO6/c1-20-7-3-4-11(14(18)19)15-13(17)10-6-5-9(21-2)8-12(10)16/h5-6,8,11,16H,3-4,7H2,1-2H3,(H,15,17)(H,18,19).
What are the key properties of 2-[(2-hydroxy-4-methoxybenzoyl)amino]-5-methoxypentanoic acid?
2-[(2-hydroxy-4-methoxybenzoyl)amino]-5-methoxypentanoic acid has a molecular weight of 297.31 g/mol, XLogP of 1.01, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-4-methoxybenzoyl)amino]-5-methoxypentanoic acid is sourced from PubChem (CID 81085345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).