4-[(3-hydroxy-4-methoxybenzoyl)amino]-4-methylpentanoic acid

C14H19NO5 — CID 79725836

IUPAC4-[(3-hydroxy-4-methoxybenzoyl)amino]-4-methylpentanoic acid
SMILESCOc1ccc(C(=O)NC(C)(C)CCC(=O)O)cc1O
InChIInChI=1S/C14H19NO5/c1-14(2,7-6-12(17)18)15-13(19)9-4-5-11(20-3)10(16)8-9/h4-5,8,16H,6-7H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyLJWSHPHIDVWPLF-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.77
Rot. Bonds6

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

4-[(3-hydroxy-4-methoxybenzoyl)amino]-4-methylpentanoic acid (PubChem CID 79725836) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is 4-[(3-hydroxy-4-methoxybenzoyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name4-[(3-hydroxy-4-methoxybenzoyl)amino]-4-methylpentanoic acid
PubChem CID79725836
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name4-[(3-hydroxy-4-methoxybenzoyl)amino]-4-methylpentanoic acid
SMILESCOc1ccc(C(=O)NC(C)(C)CCC(=O)O)cc1O
InChIInChI=1S/C14H19NO5/c1-14(2,7-6-12(17)18)15-13(19)9-4-5-11(20-3)10(16)8-9/h4-5,8,16H,6-7H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyLJWSHPHIDVWPLF-UHFFFAOYSA-N
XLogP1.77
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[(3-hydroxy-4-methoxybenzoyl)amino]-4-methylpentanoic 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

4-[(3-methoxy-4-prop-2-enoxybenzoyl)amino]-4-methylpentanoic acid
CID 119203920
4-[(2,6-dimethoxybenzoyl)amino]-4-methylpentanoic acid
CID 62041534
4-methyl-4-(naphthalene-2-carbonylamino)pentanoic acid
CID 62041314
3-hydroxy-4-methoxybenzoic acid;molecular hydrogen
CID 50930804
4-[(4-chloro-3-methylbenzoyl)amino]-4-methylpentanoic acid
CID 112701096
3-hydroxy-4-methoxybenzoic acid
CID 12575
N-[1-bromo-2-(bromomethyl)butan-2-yl]-3-hydroxy-4-methoxybenzamide
CID 107867903
4-[[4-(hydroxymethyl)benzoyl]amino]-4-methylpentanoic acid
CID 62041548
3,4-dimethoxy-N-(2-methylbutan-2-yl)benzamide
CID 3297993
4-[(3-fluorobenzoyl)amino]-4-methylpentanoic acid
CID 62042184
4-[(3-bromobenzoyl)amino]-4-methylpentanoic acid
CID 62041752
N-ethyl-3-hydroxy-4-methoxybenzamide
CID 79600193

Frequently Asked Questions

What is the IUPAC name of 4-[(3-hydroxy-4-methoxybenzoyl)amino]-4-methylpentanoic acid?
The IUPAC name of 4-[(3-hydroxy-4-methoxybenzoyl)amino]-4-methylpentanoic acid (CID 79725836) is 4-[(3-hydroxy-4-methoxybenzoyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for 4-[(3-hydroxy-4-methoxybenzoyl)amino]-4-methylpentanoic acid?
The canonical SMILES for 4-[(3-hydroxy-4-methoxybenzoyl)amino]-4-methylpentanoic acid is COc1ccc(C(=O)NC(C)(C)CCC(=O)O)cc1O.
What is the InChIKey of 4-[(3-hydroxy-4-methoxybenzoyl)amino]-4-methylpentanoic acid?
The InChIKey is LJWSHPHIDVWPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5/c1-14(2,7-6-12(17)18)15-13(19)9-4-5-11(20-3)10(16)8-9/h4-5,8,16H,6-7H2,1-3H3,(H,15,19)(H,17,18).
What are the key properties of 4-[(3-hydroxy-4-methoxybenzoyl)amino]-4-methylpentanoic acid?
4-[(3-hydroxy-4-methoxybenzoyl)amino]-4-methylpentanoic acid has a molecular weight of 281.31 g/mol, XLogP of 1.77, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-hydroxy-4-methoxybenzoyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 79725836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).