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

C14H19NO4 — CID 107674632

IUPAC2-[(4-hydroxy-3-methylbenzoyl)amino]-4-methylpentanoic acid
SMILESCc1cc(C(=O)NC(CC(C)C)C(=O)O)ccc1O
InChIInChI=1S/C14H19NO4/c1-8(2)6-11(14(18)19)15-13(17)10-4-5-12(16)9(3)7-10/h4-5,7-8,11,16H,6H2,1-3H3,(H,15,17)(H,18,19)
InChIKeyYRNCPZPTXJQWFX-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.93
Rot. Bonds5

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

2-[(4-hydroxy-3-methylbenzoyl)amino]-4-methylpentanoic acid (PubChem CID 107674632) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[(4-hydroxy-3-methylbenzoyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[(4-hydroxy-3-methylbenzoyl)amino]-4-methylpentanoic acid
PubChem CID107674632
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name2-[(4-hydroxy-3-methylbenzoyl)amino]-4-methylpentanoic acid
SMILESCc1cc(C(=O)NC(CC(C)C)C(=O)O)ccc1O
InChIInChI=1S/C14H19NO4/c1-8(2)6-11(14(18)19)15-13(17)10-4-5-12(16)9(3)7-10/h4-5,7-8,11,16H,6H2,1-3H3,(H,15,17)(H,18,19)
InChIKeyYRNCPZPTXJQWFX-UHFFFAOYSA-N
XLogP1.93
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 ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-N-(1-hydroxy-4-methylpentan-2-yl)-3-methylbenzamide
CID 103957663
(2R)-2-[(3,4-dichlorobenzoyl)amino]-4-methylpentanoic acid
CID 78975640
(2R)-2-[(3,4-difluorobenzoyl)amino]-4-methylpentanoic acid
CID 42256010
(2S)-2-[(4-acetylbenzoyl)amino]-4-methylpentanoic acid
CID 119361717
2-[(4-acetylbenzoyl)amino]-4-methylpentanoic acid
CID 119188047
(2S)-2-[[4-(4-hydroxyphenyl)benzoyl]amino]-4-methylpentanoic acid
CID 91416190
2-[(4-hydroxy-3-methylbenzoyl)amino]-3-methylpentanoic acid
CID 107674660
(2R)-2-[(3,4-diethoxybenzoyl)amino]-4-methylpentanoic acid
CID 119364336
(2R)-2-[(4-fluorobenzoyl)amino]-4-methylpentanoic acid
CID 2451208
(2R)-2-[(4-aminobenzoyl)amino]-4-methylpentanoic acid
CID 78975427
4-methyl-2-[(4-phenylbenzoyl)amino]pentanoic acid
CID 17380410
(2R)-4-methyl-2-[[3-methyl-4-(1,2,4-triazol-1-yl)benzoyl]amino]pentanoic acid
CID 119364166

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxy-3-methylbenzoyl)amino]-4-methylpentanoic acid?
The IUPAC name of 2-[(4-hydroxy-3-methylbenzoyl)amino]-4-methylpentanoic acid (CID 107674632) is 2-[(4-hydroxy-3-methylbenzoyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for 2-[(4-hydroxy-3-methylbenzoyl)amino]-4-methylpentanoic acid?
The canonical SMILES for 2-[(4-hydroxy-3-methylbenzoyl)amino]-4-methylpentanoic acid is Cc1cc(C(=O)NC(CC(C)C)C(=O)O)ccc1O.
What is the InChIKey of 2-[(4-hydroxy-3-methylbenzoyl)amino]-4-methylpentanoic acid?
The InChIKey is YRNCPZPTXJQWFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-8(2)6-11(14(18)19)15-13(17)10-4-5-12(16)9(3)7-10/h4-5,7-8,11,16H,6H2,1-3H3,(H,15,17)(H,18,19).
What are the key properties of 2-[(4-hydroxy-3-methylbenzoyl)amino]-4-methylpentanoic acid?
2-[(4-hydroxy-3-methylbenzoyl)amino]-4-methylpentanoic acid has a molecular weight of 265.31 g/mol, XLogP of 1.93, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxy-3-methylbenzoyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 107674632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).