2-[(2-hydroxy-4-methylbenzoyl)amino]-2-methylpentanoic acid

C14H19NO4 — CID 43618664

IUPAC2-[(2-hydroxy-4-methylbenzoyl)amino]-2-methylpentanoic acid
SMILESCCCC(C)(NC(=O)c1ccc(C)cc1O)C(=O)O
InChIInChI=1S/C14H19NO4/c1-4-7-14(3,13(18)19)15-12(17)10-6-5-9(2)8-11(10)16/h5-6,8,16H,4,7H2,1-3H3,(H,15,17)(H,18,19)
InChIKeyONNYSFVRFNWZAJ-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.07
Rot. Bonds5

About 2-[(2-hydroxy-4-methylbenzoyl)amino]-2-methylpentanoic acid

2-[(2-hydroxy-4-methylbenzoyl)amino]-2-methylpentanoic acid (PubChem CID 43618664) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[(2-hydroxy-4-methylbenzoyl)amino]-2-methylpentanoic acid.

Molecular Properties

Compound Name2-[(2-hydroxy-4-methylbenzoyl)amino]-2-methylpentanoic acid
PubChem CID43618664
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name2-[(2-hydroxy-4-methylbenzoyl)amino]-2-methylpentanoic acid
SMILESCCCC(C)(NC(=O)c1ccc(C)cc1O)C(=O)O
InChIInChI=1S/C14H19NO4/c1-4-7-14(3,13(18)19)15-12(17)10-6-5-9(2)8-11(10)16/h5-6,8,16H,4,7H2,1-3H3,(H,15,17)(H,18,19)
InChIKeyONNYSFVRFNWZAJ-UHFFFAOYSA-N
XLogP2.07
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-fluoro-2-hydroxybenzoyl)amino]-2-methylpentanoic acid
CID 115298445
2-[(2,4-dimethylbenzoyl)amino]-2-methylbutanoic acid
CID 79793464
2-[(2,4-dichlorobenzoyl)amino]-2-methylpentanoic acid
CID 43618517
2-methyl-2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]pentanoic acid
CID 113227894
2-methyl-2-[(2,3,4-trifluorobenzoyl)amino]pentanoic acid
CID 79749694
2-[(4-bromo-2-hydroxybenzoyl)amino]-2-methylbutanoic acid
CID 79793336
2-hydroxy-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-4-methylbenzamide
CID 103933318
2-[(2,5-dimethylbenzoyl)amino]-2-methylbutanoic acid
CID 79792717
2-[(2,4-dimethoxybenzoyl)amino]-2-methylpentanoic acid
CID 43618581
2-[(3,5-dihydroxybenzoyl)amino]-2-methylpentanoic acid
CID 107702413
N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-hydroxy-4-methylbenzamide
CID 104579469
N-(2,2-dimethylbutyl)-2-hydroxy-4-methylbenzamide
CID 103462004

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-4-methylbenzoyl)amino]-2-methylpentanoic acid?
The IUPAC name of 2-[(2-hydroxy-4-methylbenzoyl)amino]-2-methylpentanoic acid (CID 43618664) is 2-[(2-hydroxy-4-methylbenzoyl)amino]-2-methylpentanoic acid.
What is the SMILES notation for 2-[(2-hydroxy-4-methylbenzoyl)amino]-2-methylpentanoic acid?
The canonical SMILES for 2-[(2-hydroxy-4-methylbenzoyl)amino]-2-methylpentanoic acid is CCCC(C)(NC(=O)c1ccc(C)cc1O)C(=O)O.
What is the InChIKey of 2-[(2-hydroxy-4-methylbenzoyl)amino]-2-methylpentanoic acid?
The InChIKey is ONNYSFVRFNWZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-4-7-14(3,13(18)19)15-12(17)10-6-5-9(2)8-11(10)16/h5-6,8,16H,4,7H2,1-3H3,(H,15,17)(H,18,19).
What are the key properties of 2-[(2-hydroxy-4-methylbenzoyl)amino]-2-methylpentanoic acid?
2-[(2-hydroxy-4-methylbenzoyl)amino]-2-methylpentanoic acid has a molecular weight of 265.31 g/mol, XLogP of 2.07, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-4-methylbenzoyl)amino]-2-methylpentanoic acid is sourced from PubChem (CID 43618664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).