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

C14H19NO4 — CID 107674660

IUPAC2-[(4-hydroxy-3-methylbenzoyl)amino]-3-methylpentanoic acid
SMILESCCC(C)C(NC(=O)c1ccc(O)c(C)c1)C(=O)O
InChIInChI=1S/C14H19NO4/c1-4-8(2)12(14(18)19)15-13(17)10-5-6-11(16)9(3)7-10/h5-8,12,16H,4H2,1-3H3,(H,15,17)(H,18,19)
InChIKeyATZOQFSROLNOIQ-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.93
Rot. Bonds5

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

2-[(4-hydroxy-3-methylbenzoyl)amino]-3-methylpentanoic acid (PubChem CID 107674660) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[(4-hydroxy-3-methylbenzoyl)amino]-3-methylpentanoic acid.

Molecular Properties

Compound Name2-[(4-hydroxy-3-methylbenzoyl)amino]-3-methylpentanoic acid
PubChem CID107674660
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name2-[(4-hydroxy-3-methylbenzoyl)amino]-3-methylpentanoic acid
SMILESCCC(C)C(NC(=O)c1ccc(O)c(C)c1)C(=O)O
InChIInChI=1S/C14H19NO4/c1-4-8(2)12(14(18)19)15-13(17)10-5-6-11(16)9(3)7-10/h5-8,12,16H,4H2,1-3H3,(H,15,17)(H,18,19)
InChIKeyATZOQFSROLNOIQ-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

(2S,3S)-2-[(3,4-dihydroxybenzoyl)amino]-3-methylpentanoic acid
CID 107728036
(2S,3S)-3-methyl-2-[[3-methyl-4-(3-methylbutanoylamino)benzoyl]amino]pentanoic acid
CID 119194180
(2S,3S)-2-[(4-methoxy-3,5-dimethylbenzoyl)amino]-3-methylpentanoic acid
CID 120686080
2-[(3,5-dihydroxybenzoyl)amino]-3-methylpentanoic acid
CID 107702327
(2S,3S)-2-[(4-acetylbenzoyl)amino]-3-methylpentanoic acid
CID 119193795
(2S)-2-[(3-amino-4-chlorobenzoyl)amino]-3-methylpentanoic acid
CID 61174170
(2R,3S)-2-[(4-chlorobenzoyl)amino]-3-methylpentanoic acid
CID 2363261
(2R,3S)-3-methyl-2-[(4-propan-2-ylbenzoyl)amino]pentanoic acid
CID 51541225
2-[(4-hydroxy-3-methylbenzoyl)amino]-4-methylpentanoic acid
CID 107674632
2-(2,3-dihydro-1H-indene-5-carbonylamino)-3-methylpentanoic acid
CID 43176189
4-hydroxy-N-[(2R)-1-hydroxybutan-2-yl]-3-methylbenzamide
CID 103958340
(2S)-3-methyl-2-[(6-methylpyridine-3-carbonyl)amino]pentanoic acid
CID 61173952

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxy-3-methylbenzoyl)amino]-3-methylpentanoic acid?
The IUPAC name of 2-[(4-hydroxy-3-methylbenzoyl)amino]-3-methylpentanoic acid (CID 107674660) is 2-[(4-hydroxy-3-methylbenzoyl)amino]-3-methylpentanoic acid.
What is the SMILES notation for 2-[(4-hydroxy-3-methylbenzoyl)amino]-3-methylpentanoic acid?
The canonical SMILES for 2-[(4-hydroxy-3-methylbenzoyl)amino]-3-methylpentanoic acid is CCC(C)C(NC(=O)c1ccc(O)c(C)c1)C(=O)O.
What is the InChIKey of 2-[(4-hydroxy-3-methylbenzoyl)amino]-3-methylpentanoic acid?
The InChIKey is ATZOQFSROLNOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-4-8(2)12(14(18)19)15-13(17)10-5-6-11(16)9(3)7-10/h5-8,12,16H,4H2,1-3H3,(H,15,17)(H,18,19).
What are the key properties of 2-[(4-hydroxy-3-methylbenzoyl)amino]-3-methylpentanoic acid?
2-[(4-hydroxy-3-methylbenzoyl)amino]-3-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]-3-methylpentanoic acid is sourced from PubChem (CID 107674660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).