2-[(2-hydroxybenzoyl)amino]pentanoic acid

C12H15NO4 — CID 43630253

IUPAC2-[(2-hydroxybenzoyl)amino]pentanoic acid
SMILESCCCC(NC(=O)c1ccccc1O)C(=O)O
InChIInChI=1S/C12H15NO4/c1-2-5-9(12(16)17)13-11(15)8-6-3-4-7-10(8)14/h3-4,6-7,9,14H,2,5H2,1H3,(H,13,15)(H,16,17)
InChIKeyLJLHRXLFKVDORU-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.38
Rot. Bonds5

About 2-[(2-hydroxybenzoyl)amino]pentanoic acid

2-[(2-hydroxybenzoyl)amino]pentanoic acid (PubChem CID 43630253) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is 2-[(2-hydroxybenzoyl)amino]pentanoic acid.

Molecular Properties

Compound Name2-[(2-hydroxybenzoyl)amino]pentanoic acid
PubChem CID43630253
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name2-[(2-hydroxybenzoyl)amino]pentanoic acid
SMILESCCCC(NC(=O)c1ccccc1O)C(=O)O
InChIInChI=1S/C12H15NO4/c1-2-5-9(12(16)17)13-11(15)8-6-3-4-7-10(8)14/h3-4,6-7,9,14H,2,5H2,1H3,(H,13,15)(H,16,17)
InChIKeyLJLHRXLFKVDORU-UHFFFAOYSA-N
XLogP1.38
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(2-methylsulfanylbenzoyl)amino]pentanoic acid
CID 107563529
(2R)-2-[(2-hydroxybenzoyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107820728
(2R)-2-[(2-hydroxy-5-methylbenzoyl)amino]pentanoic acid
CID 107563235
(2S)-2-[(2-hydroxybenzoyl)amino]butanedioic acid
CID 3043783
(2R)-2-[(5-bromo-2-hydroxybenzoyl)amino]pentanoic acid
CID 107729511
N-hexan-3-yl-2-hydroxybenzamide
CID 62046226
2-[(3-hydroxy-2-methylbenzoyl)amino]hexanoic acid
CID 82826318
(2R)-2-[(4-phenylbenzoyl)amino]pentanoic acid
CID 126627406
(2S)-2-[(2-prop-2-enoxybenzoyl)amino]pentanoic acid
CID 107564143
2-[[2-(2-hydroxyphenyl)acetyl]amino]pentanoic acid
CID 80740485
2-[(3-hydroxypyridine-2-carbonyl)amino]pentanoic acid
CID 54860839
(2R)-2-[(4-hydroxybenzoyl)amino]pentanoic acid
CID 107563370

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxybenzoyl)amino]pentanoic acid?
The IUPAC name of 2-[(2-hydroxybenzoyl)amino]pentanoic acid (CID 43630253) is 2-[(2-hydroxybenzoyl)amino]pentanoic acid.
What is the SMILES notation for 2-[(2-hydroxybenzoyl)amino]pentanoic acid?
The canonical SMILES for 2-[(2-hydroxybenzoyl)amino]pentanoic acid is CCCC(NC(=O)c1ccccc1O)C(=O)O.
What is the InChIKey of 2-[(2-hydroxybenzoyl)amino]pentanoic acid?
The InChIKey is LJLHRXLFKVDORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-2-5-9(12(16)17)13-11(15)8-6-3-4-7-10(8)14/h3-4,6-7,9,14H,2,5H2,1H3,(H,13,15)(H,16,17).
What are the key properties of 2-[(2-hydroxybenzoyl)amino]pentanoic acid?
2-[(2-hydroxybenzoyl)amino]pentanoic acid has a molecular weight of 237.25 g/mol, XLogP of 1.38, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxybenzoyl)amino]pentanoic acid is sourced from PubChem (CID 43630253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).