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

C14H19NO4 — CID 107670917

IUPAC5-[(4-hydroxy-2-methylbenzoyl)amino]-2-methylpentanoic acid
SMILESCc1cc(O)ccc1C(=O)NCCCC(C)C(=O)O
InChIInChI=1S/C14H19NO4/c1-9(14(18)19)4-3-7-15-13(17)12-6-5-11(16)8-10(12)2/h5-6,8-9,16H,3-4,7H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyYNPXSVCCZHLHIJ-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.93
Rot. Bonds6

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

5-[(4-hydroxy-2-methylbenzoyl)amino]-2-methylpentanoic acid (PubChem CID 107670917) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 5-[(4-hydroxy-2-methylbenzoyl)amino]-2-methylpentanoic acid.

Molecular Properties

Compound Name5-[(4-hydroxy-2-methylbenzoyl)amino]-2-methylpentanoic acid
PubChem CID107670917
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name5-[(4-hydroxy-2-methylbenzoyl)amino]-2-methylpentanoic acid
SMILESCc1cc(O)ccc1C(=O)NCCCC(C)C(=O)O
InChIInChI=1S/C14H19NO4/c1-9(14(18)19)4-3-7-15-13(17)12-6-5-11(16)8-10(12)2/h5-6,8-9,16H,3-4,7H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyYNPXSVCCZHLHIJ-UHFFFAOYSA-N
XLogP1.93
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-5-[(2-methylbenzoyl)amino]pentanoic acid
CID 104681725
5-[(5-chloro-2-methylbenzoyl)amino]-2-methylpentanoic acid
CID 104681937
N-(3-aminopropyl)-4-hydroxy-2-methylbenzamide
CID 107670534
2-methyl-5-[(4-methylthiophene-3-carbonyl)amino]pentanoic acid
CID 104682724
5-[(2-bromo-4-methylbenzoyl)amino]-2-methylpentanoic acid
CID 113440669
5-[(4-chloro-2-fluorobenzoyl)amino]-2-methylpentanoic acid
CID 104682759
N-(4-chlorobutyl)-4-hydroxy-2-methylbenzamide
CID 107673272
5-[(2-hydroxybenzoyl)amino]-2-methylpentanoic acid
CID 104681612
N-(4-cyanobutyl)-4-hydroxy-2-methylbenzamide
CID 103865446
5-[(3-amino-4-methylbenzoyl)amino]-2-methylpentanoic acid
CID 112547774
4-hydroxy-2-methyl-N-[3-(2-methylpropoxy)propyl]benzamide
CID 103863566
N-[3-(dimethylamino)propyl]-4-hydroxy-2-methylbenzamide
CID 103863454

Frequently Asked Questions

What is the IUPAC name of 5-[(4-hydroxy-2-methylbenzoyl)amino]-2-methylpentanoic acid?
The IUPAC name of 5-[(4-hydroxy-2-methylbenzoyl)amino]-2-methylpentanoic acid (CID 107670917) is 5-[(4-hydroxy-2-methylbenzoyl)amino]-2-methylpentanoic acid.
What is the SMILES notation for 5-[(4-hydroxy-2-methylbenzoyl)amino]-2-methylpentanoic acid?
The canonical SMILES for 5-[(4-hydroxy-2-methylbenzoyl)amino]-2-methylpentanoic acid is Cc1cc(O)ccc1C(=O)NCCCC(C)C(=O)O.
What is the InChIKey of 5-[(4-hydroxy-2-methylbenzoyl)amino]-2-methylpentanoic acid?
The InChIKey is YNPXSVCCZHLHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-9(14(18)19)4-3-7-15-13(17)12-6-5-11(16)8-10(12)2/h5-6,8-9,16H,3-4,7H2,1-2H3,(H,15,17)(H,18,19).
What are the key properties of 5-[(4-hydroxy-2-methylbenzoyl)amino]-2-methylpentanoic acid?
5-[(4-hydroxy-2-methylbenzoyl)amino]-2-methylpentanoic acid has a molecular weight of 265.31 g/mol, XLogP of 1.93, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-hydroxy-2-methylbenzoyl)amino]-2-methylpentanoic acid is sourced from PubChem (CID 107670917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).