(2R)-2-[(2-hydroxy-5-methylbenzoyl)amino]pentanoic acid

C13H17NO4 — CID 107563235

IUPAC(2R)-2-[(2-hydroxy-5-methylbenzoyl)amino]pentanoic acid
SMILESCCC[C@@H](NC(=O)c1cc(C)ccc1O)C(=O)O
InChIInChI=1S/C13H17NO4/c1-3-4-10(13(17)18)14-12(16)9-7-8(2)5-6-11(9)15/h5-7,10,15H,3-4H2,1-2H3,(H,14,16)(H,17,18)/t10-/m1/s1
InChIKeyOSBRHSVFQVVNMM-SNVBAGLBSA-N
MW251.28 g/mol
LogP1.68
Rot. Bonds5

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

(2R)-2-[(2-hydroxy-5-methylbenzoyl)amino]pentanoic acid (PubChem CID 107563235) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is (2R)-2-[(2-hydroxy-5-methylbenzoyl)amino]pentanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2-hydroxy-5-methylbenzoyl)amino]pentanoic acid
PubChem CID107563235
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name(2R)-2-[(2-hydroxy-5-methylbenzoyl)amino]pentanoic acid
SMILESCCC[C@@H](NC(=O)c1cc(C)ccc1O)C(=O)O
InChIInChI=1S/C13H17NO4/c1-3-4-10(13(17)18)14-12(16)9-7-8(2)5-6-11(9)15/h5-7,10,15H,3-4H2,1-2H3,(H,14,16)(H,17,18)/t10-/m1/s1
InChIKeyOSBRHSVFQVVNMM-SNVBAGLBSA-N
XLogP1.68
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-hydroxy-5-methylbenzoyl)amino]hexanoic acid
CID 43469944
2-[(2-hydroxy-5-methylbenzoyl)amino]-4-methoxybutanoic acid
CID 55075944
N-(1-amino-1-sulfanylidenepentan-2-yl)-2-hydroxy-5-methylbenzamide
CID 61121293
(2R)-2-[(2-hydroxy-5-methylbenzoyl)amino]hexanedioic acid
CID 107831579
(2R)-2-[(5-bromo-2-hydroxybenzoyl)amino]pentanoic acid
CID 107729511
2-[(2-hydroxybenzoyl)amino]pentanoic acid
CID 43630253
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
(2S)-2-[(2-chloro-4-methylbenzoyl)amino]hexanoic acid
CID 107144325
N-(4-bromobutan-2-yl)-2-hydroxy-5-methylbenzamide
CID 83180515
2-hydroxy-N-[(2R)-1-hydroxybutan-2-yl]-5-methylbenzamide
CID 103920351

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-hydroxy-5-methylbenzoyl)amino]pentanoic acid?
The IUPAC name of (2R)-2-[(2-hydroxy-5-methylbenzoyl)amino]pentanoic acid (CID 107563235) is (2R)-2-[(2-hydroxy-5-methylbenzoyl)amino]pentanoic acid.
What is the SMILES notation for (2R)-2-[(2-hydroxy-5-methylbenzoyl)amino]pentanoic acid?
The canonical SMILES for (2R)-2-[(2-hydroxy-5-methylbenzoyl)amino]pentanoic acid is CCC[C@@H](NC(=O)c1cc(C)ccc1O)C(=O)O.
What is the InChIKey of (2R)-2-[(2-hydroxy-5-methylbenzoyl)amino]pentanoic acid?
The InChIKey is OSBRHSVFQVVNMM-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H17NO4/c1-3-4-10(13(17)18)14-12(16)9-7-8(2)5-6-11(9)15/h5-7,10,15H,3-4H2,1-2H3,(H,14,16)(H,17,18)/t10-/m1/s1.
What are the key properties of (2R)-2-[(2-hydroxy-5-methylbenzoyl)amino]pentanoic acid?
(2R)-2-[(2-hydroxy-5-methylbenzoyl)amino]pentanoic acid has a molecular weight of 251.28 g/mol, XLogP of 1.68, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-hydroxy-5-methylbenzoyl)amino]pentanoic acid is sourced from PubChem (CID 107563235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).