2-[(3-hydroxy-4-methylbenzoyl)amino]-5-methoxypentanoic acid

C14H19NO5 — CID 81076917

IUPAC2-[(3-hydroxy-4-methylbenzoyl)amino]-5-methoxypentanoic acid
SMILESCOCCCC(NC(=O)c1ccc(C)c(O)c1)C(=O)O
InChIInChI=1S/C14H19NO5/c1-9-5-6-10(8-12(9)16)13(17)15-11(14(18)19)4-3-7-20-2/h5-6,8,11,16H,3-4,7H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyGYHXXVGRTGPXGG-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.31
Rot. Bonds7

About 2-[(3-hydroxy-4-methylbenzoyl)amino]-5-methoxypentanoic acid

2-[(3-hydroxy-4-methylbenzoyl)amino]-5-methoxypentanoic acid (PubChem CID 81076917) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-[(3-hydroxy-4-methylbenzoyl)amino]-5-methoxypentanoic acid.

Molecular Properties

Compound Name2-[(3-hydroxy-4-methylbenzoyl)amino]-5-methoxypentanoic acid
PubChem CID81076917
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name2-[(3-hydroxy-4-methylbenzoyl)amino]-5-methoxypentanoic acid
SMILESCOCCCC(NC(=O)c1ccc(C)c(O)c1)C(=O)O
InChIInChI=1S/C14H19NO5/c1-9-5-6-10(8-12(9)16)13(17)15-11(14(18)19)4-3-7-20-2/h5-6,8,11,16H,3-4,7H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyGYHXXVGRTGPXGG-UHFFFAOYSA-N
XLogP1.31
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(3-hydroxy-4-methylbenzoyl)amino]-5-methoxypentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3,4-dimethylbenzoyl)amino]-5-methoxypentanoic acid
CID 81077142
2-[(4-fluoro-3-methylbenzoyl)amino]-5-methoxypentanoic acid
CID 81076583
2-[(3-hydroxy-4-methylbenzoyl)amino]pentanedioic acid
CID 60830283
5-methoxy-2-[(4-methylbenzoyl)amino]pentanoic acid
CID 81077151
2-[(3,5-dimethylbenzoyl)amino]-5-methoxypentanoic acid
CID 81076564
5-methoxy-2-[(4-methoxybenzoyl)amino]pentanoic acid
CID 81077484
2-[(2,5-dimethylbenzoyl)amino]-5-methoxypentanoic acid
CID 81076484
2-[(3-bromo-4-methoxybenzoyl)amino]-5-methoxypentanoic acid
CID 81085672
2-[(4-ethylbenzoyl)amino]-5-methoxypentanoic acid
CID 81077077
5-methoxy-2-[(4-propan-2-ylbenzoyl)amino]pentanoic acid
CID 81085643
(2S)-2-[(3-hydroxy-4-methoxybenzoyl)amino]hexanoic acid
CID 107144546
5-methoxy-2-[(4-nitrobenzoyl)amino]pentanoic acid
CID 81085680

Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxy-4-methylbenzoyl)amino]-5-methoxypentanoic acid?
The IUPAC name of 2-[(3-hydroxy-4-methylbenzoyl)amino]-5-methoxypentanoic acid (CID 81076917) is 2-[(3-hydroxy-4-methylbenzoyl)amino]-5-methoxypentanoic acid.
What is the SMILES notation for 2-[(3-hydroxy-4-methylbenzoyl)amino]-5-methoxypentanoic acid?
The canonical SMILES for 2-[(3-hydroxy-4-methylbenzoyl)amino]-5-methoxypentanoic acid is COCCCC(NC(=O)c1ccc(C)c(O)c1)C(=O)O.
What is the InChIKey of 2-[(3-hydroxy-4-methylbenzoyl)amino]-5-methoxypentanoic acid?
The InChIKey is GYHXXVGRTGPXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5/c1-9-5-6-10(8-12(9)16)13(17)15-11(14(18)19)4-3-7-20-2/h5-6,8,11,16H,3-4,7H2,1-2H3,(H,15,17)(H,18,19).
What are the key properties of 2-[(3-hydroxy-4-methylbenzoyl)amino]-5-methoxypentanoic acid?
2-[(3-hydroxy-4-methylbenzoyl)amino]-5-methoxypentanoic acid has a molecular weight of 281.31 g/mol, XLogP of 1.31, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxy-4-methylbenzoyl)amino]-5-methoxypentanoic acid is sourced from PubChem (CID 81076917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).