5-[(3-hydroxy-2-methylbenzoyl)amino]-4-methylpentanoic acid

C14H19NO4 — CID 82826570

IUPAC5-[(3-hydroxy-2-methylbenzoyl)amino]-4-methylpentanoic acid
SMILESCc1c(O)cccc1C(=O)NCC(C)CCC(=O)O
InChIInChI=1S/C14H19NO4/c1-9(6-7-13(17)18)8-15-14(19)11-4-3-5-12(16)10(11)2/h3-5,9,16H,6-8H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyOFFJTYYXTTVGGY-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.93
Rot. Bonds6

About 5-[(3-hydroxy-2-methylbenzoyl)amino]-4-methylpentanoic acid

5-[(3-hydroxy-2-methylbenzoyl)amino]-4-methylpentanoic acid (PubChem CID 82826570) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 5-[(3-hydroxy-2-methylbenzoyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name5-[(3-hydroxy-2-methylbenzoyl)amino]-4-methylpentanoic acid
PubChem CID82826570
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name5-[(3-hydroxy-2-methylbenzoyl)amino]-4-methylpentanoic acid
SMILESCc1c(O)cccc1C(=O)NCC(C)CCC(=O)O
InChIInChI=1S/C14H19NO4/c1-9(6-7-13(17)18)8-15-14(19)11-4-3-5-12(16)10(11)2/h3-5,9,16H,6-8H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyOFFJTYYXTTVGGY-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

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Related Compounds

N-(4-chloro-2-methylbutyl)-3-hydroxy-2-methylbenzamide
CID 82831055
5-[(2-fluoro-3-methylbenzoyl)amino]-4-methylpentanoic acid
CID 82682663
3-[(3-hydroxy-2-methylbenzoyl)amino]propanoic acid
CID 82827188
5-[(2-chloropyridine-3-carbonyl)amino]-4-methylpentanoic acid
CID 114037156
(2S)-2-[(3-hydroxy-2-methylbenzoyl)amino]pentanedioic acid
CID 82827108
4-methyl-5-[[2-(trifluoromethyl)benzoyl]amino]pentanoic acid
CID 82009837
5-[(2,5-dimethylbenzoyl)amino]-4-methylpentanoic acid
CID 82009424
N-(4-amino-2-methylbutyl)-2,3-dimethylbenzamide
CID 66092297
4-methyl-5-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]pentanoic acid
CID 104772766
3-amino-N-(4-hydroxy-2-methylbutyl)-2-methylbenzamide
CID 66091959
5-[(3-bromobenzoyl)amino]-4-methylpentanoic acid
CID 82684044
5-[(5-chloro-2-fluorobenzoyl)amino]-4-methylpentanoic acid
CID 82009047

Frequently Asked Questions

What is the IUPAC name of 5-[(3-hydroxy-2-methylbenzoyl)amino]-4-methylpentanoic acid?
The IUPAC name of 5-[(3-hydroxy-2-methylbenzoyl)amino]-4-methylpentanoic acid (CID 82826570) is 5-[(3-hydroxy-2-methylbenzoyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for 5-[(3-hydroxy-2-methylbenzoyl)amino]-4-methylpentanoic acid?
The canonical SMILES for 5-[(3-hydroxy-2-methylbenzoyl)amino]-4-methylpentanoic acid is Cc1c(O)cccc1C(=O)NCC(C)CCC(=O)O.
What is the InChIKey of 5-[(3-hydroxy-2-methylbenzoyl)amino]-4-methylpentanoic acid?
The InChIKey is OFFJTYYXTTVGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-9(6-7-13(17)18)8-15-14(19)11-4-3-5-12(16)10(11)2/h3-5,9,16H,6-8H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 5-[(3-hydroxy-2-methylbenzoyl)amino]-4-methylpentanoic acid?
5-[(3-hydroxy-2-methylbenzoyl)amino]-4-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-[(3-hydroxy-2-methylbenzoyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 82826570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).