2-[(2-hydroxy-5-methylbenzoyl)amino]hexanoic acid

C14H19NO4 — CID 43469944

IUPAC2-[(2-hydroxy-5-methylbenzoyl)amino]hexanoic acid
SMILESCCCCC(NC(=O)c1cc(C)ccc1O)C(=O)O
InChIInChI=1S/C14H19NO4/c1-3-4-5-11(14(18)19)15-13(17)10-8-9(2)6-7-12(10)16/h6-8,11,16H,3-5H2,1-2H3,(H,15,17)(H,18,19)
InChIKeySMOJUEDCSBRPHD-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.07
Rot. Bonds6

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

2-[(2-hydroxy-5-methylbenzoyl)amino]hexanoic acid (PubChem CID 43469944) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[(2-hydroxy-5-methylbenzoyl)amino]hexanoic acid.

Molecular Properties

Compound Name2-[(2-hydroxy-5-methylbenzoyl)amino]hexanoic acid
PubChem CID43469944
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name2-[(2-hydroxy-5-methylbenzoyl)amino]hexanoic acid
SMILESCCCCC(NC(=O)c1cc(C)ccc1O)C(=O)O
InChIInChI=1S/C14H19NO4/c1-3-4-5-11(14(18)19)15-13(17)10-8-9(2)6-7-12(10)16/h6-8,11,16H,3-5H2,1-2H3,(H,15,17)(H,18,19)
InChIKeySMOJUEDCSBRPHD-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

(2R)-2-[(2-hydroxy-5-methylbenzoyl)amino]pentanoic acid
CID 107563235
(2R)-2-[(2-hydroxy-5-methylbenzoyl)amino]hexanedioic acid
CID 107831579
2-[(5-bromo-2-hydroxybenzoyl)amino]hexanoic acid
CID 107729294
(2S)-2-[(5-fluoro-2-hydroxybenzoyl)amino]hexanoic acid
CID 107144035
(2S)-2-[(2-fluoro-5-methylbenzoyl)amino]hexanoic acid
CID 107144143
2-[(2-hydroxy-5-methylbenzoyl)amino]-4-methoxybutanoic acid
CID 55075944
(2S)-2-[(2-chloro-4-methylbenzoyl)amino]hexanoic acid
CID 107144325
2-[(3-hydroxy-2-methylbenzoyl)amino]hexanoic acid
CID 82826318
N-(1-amino-1-sulfanylidenepentan-2-yl)-2-hydroxy-5-methylbenzamide
CID 61121293
(2R)-2-[(5-bromo-2-hydroxybenzoyl)amino]pentanoic acid
CID 107729511
(2S)-2-[(2-chloro-5-hydroxybenzoyl)amino]hexanoic acid
CID 107144107
2-[(2,5-dimethylbenzoyl)amino]-5-methoxypentanoic acid
CID 81076484

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-5-methylbenzoyl)amino]hexanoic acid?
The IUPAC name of 2-[(2-hydroxy-5-methylbenzoyl)amino]hexanoic acid (CID 43469944) is 2-[(2-hydroxy-5-methylbenzoyl)amino]hexanoic acid.
What is the SMILES notation for 2-[(2-hydroxy-5-methylbenzoyl)amino]hexanoic acid?
The canonical SMILES for 2-[(2-hydroxy-5-methylbenzoyl)amino]hexanoic acid is CCCCC(NC(=O)c1cc(C)ccc1O)C(=O)O.
What is the InChIKey of 2-[(2-hydroxy-5-methylbenzoyl)amino]hexanoic acid?
The InChIKey is SMOJUEDCSBRPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-3-4-5-11(14(18)19)15-13(17)10-8-9(2)6-7-12(10)16/h6-8,11,16H,3-5H2,1-2H3,(H,15,17)(H,18,19).
What are the key properties of 2-[(2-hydroxy-5-methylbenzoyl)amino]hexanoic acid?
2-[(2-hydroxy-5-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-[(2-hydroxy-5-methylbenzoyl)amino]hexanoic acid is sourced from PubChem (CID 43469944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).