2-[(3-hydroxy-2-methylbenzoyl)amino]hexanoic acid

C14H19NO4 — CID 82826318

IUPAC2-[(3-hydroxy-2-methylbenzoyl)amino]hexanoic acid
SMILESCCCCC(NC(=O)c1cccc(O)c1C)C(=O)O
InChIInChI=1S/C14H19NO4/c1-3-4-7-11(14(18)19)15-13(17)10-6-5-8-12(16)9(10)2/h5-6,8,11,16H,3-4,7H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyIBGBFHOOZIFCFE-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.07
Rot. Bonds6

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

2-[(3-hydroxy-2-methylbenzoyl)amino]hexanoic acid (PubChem CID 82826318) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[(3-hydroxy-2-methylbenzoyl)amino]hexanoic acid.

Molecular Properties

Compound Name2-[(3-hydroxy-2-methylbenzoyl)amino]hexanoic acid
PubChem CID82826318
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name2-[(3-hydroxy-2-methylbenzoyl)amino]hexanoic acid
SMILESCCCCC(NC(=O)c1cccc(O)c1C)C(=O)O
InChIInChI=1S/C14H19NO4/c1-3-4-7-11(14(18)19)15-13(17)10-6-5-8-12(16)9(10)2/h5-6,8,11,16H,3-4,7H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyIBGBFHOOZIFCFE-UHFFFAOYSA-N
XLogP2.07
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 ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(3-hydroxy-2-methylbenzoyl)amino]pentanedioic acid
CID 82827108
2-[(2-hydroxy-5-methylbenzoyl)amino]hexanoic acid
CID 43469944
2-[(3-bromo-2-fluorobenzoyl)amino]hexanoic acid
CID 107948998
2-[(2-hydroxybenzoyl)amino]pentanoic acid
CID 43630253
2-[(2-chloropyridine-3-carbonyl)amino]hexanoic acid
CID 103602675
(2S)-2-[(2-chloropyridine-3-carbonyl)amino]hexanoic acid
CID 114011869
2-[(2-bromopyridine-3-carbonyl)amino]hexanoic acid
CID 104543371
(2S)-2-[[(2S)-2-[(3-hydroxy-2-methylbenzoyl)amino]-4-methylpentanoyl]amino]-4-methylpentanoic acid
CID 46930259
(2S)-2-[(5-fluoro-2-hydroxybenzoyl)amino]hexanoic acid
CID 107144035
2-[(5-bromo-2-hydroxybenzoyl)amino]hexanoic acid
CID 107729294
(2S)-2-[(2-methoxypyridine-3-carbonyl)amino]hexanoic acid
CID 107144610
(2R)-2-[(2,3-dimethylbenzoyl)amino]-4-hydroxybutanoic acid
CID 107823072

Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxy-2-methylbenzoyl)amino]hexanoic acid?
The IUPAC name of 2-[(3-hydroxy-2-methylbenzoyl)amino]hexanoic acid (CID 82826318) is 2-[(3-hydroxy-2-methylbenzoyl)amino]hexanoic acid.
What is the SMILES notation for 2-[(3-hydroxy-2-methylbenzoyl)amino]hexanoic acid?
The canonical SMILES for 2-[(3-hydroxy-2-methylbenzoyl)amino]hexanoic acid is CCCCC(NC(=O)c1cccc(O)c1C)C(=O)O.
What is the InChIKey of 2-[(3-hydroxy-2-methylbenzoyl)amino]hexanoic acid?
The InChIKey is IBGBFHOOZIFCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-3-4-7-11(14(18)19)15-13(17)10-6-5-8-12(16)9(10)2/h5-6,8,11,16H,3-4,7H2,1-2H3,(H,15,17)(H,18,19).
What are the key properties of 2-[(3-hydroxy-2-methylbenzoyl)amino]hexanoic acid?
2-[(3-hydroxy-2-methylbenzoyl)amino]hexanoic acid has a molecular weight of 265.31 g/mol, XLogP of 2.07, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxy-2-methylbenzoyl)amino]hexanoic acid is sourced from PubChem (CID 82826318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).