(2R)-2-[(4-hydroxybenzoyl)amino]pentanoic acid

C12H15NO4 — CID 107563370

IUPAC(2R)-2-[(4-hydroxybenzoyl)amino]pentanoic acid
SMILESCCC[C@@H](NC(=O)c1ccc(O)cc1)C(=O)O
InChIInChI=1S/C12H15NO4/c1-2-3-10(12(16)17)13-11(15)8-4-6-9(14)7-5-8/h4-7,10,14H,2-3H2,1H3,(H,13,15)(H,16,17)/t10-/m1/s1
InChIKeyTZRSQZQEOACZKF-SNVBAGLBSA-N
MW237.25 g/mol
LogP1.38
Rot. Bonds5

About (2R)-2-[(4-hydroxybenzoyl)amino]pentanoic acid

(2R)-2-[(4-hydroxybenzoyl)amino]pentanoic acid (PubChem CID 107563370) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is (2R)-2-[(4-hydroxybenzoyl)amino]pentanoic acid.

Molecular Properties

Compound Name(2R)-2-[(4-hydroxybenzoyl)amino]pentanoic acid
PubChem CID107563370
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name(2R)-2-[(4-hydroxybenzoyl)amino]pentanoic acid
SMILESCCC[C@@H](NC(=O)c1ccc(O)cc1)C(=O)O
InChIInChI=1S/C12H15NO4/c1-2-3-10(12(16)17)13-11(15)8-4-6-9(14)7-5-8/h4-7,10,14H,2-3H2,1H3,(H,13,15)(H,16,17)/t10-/m1/s1
InChIKeyTZRSQZQEOACZKF-SNVBAGLBSA-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

2-[[4-(propan-2-ylcarbamoyl)benzoyl]amino]pentanoic acid
CID 120534623
(2R)-2-[(4-phenylbenzoyl)amino]pentanoic acid
CID 126627406
4-hydroxy-2-[(4-hydroxybenzoyl)amino]butanoic acid
CID 61243635
(2R)-2-[[4-(aminomethyl)benzoyl]amino]pentanoic acid
CID 113342255
(2S)-2-[(4-butoxybenzoyl)amino]pentanoic acid
CID 107564279
(2S)-2-(thiophene-3-carbonylamino)pentanoic acid
CID 107564268
(2R)-2-[(3-chloro-4-hydroxybenzoyl)amino]pentanoic acid
CID 107563234
4-[[(1S)-1-carboxypentyl]carbamoyl]benzoic acid
CID 120615746
2-[[4-[[1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl]benzoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
CID 3417680
(2S)-2-[(4-prop-2-enoxybenzoyl)amino]pentanoic acid
CID 107564291
2-[(3-hydroxy-4-methoxybenzoyl)amino]pentanoic acid
CID 79726159
(2S)-2-[[4-(4-hydroxyphenyl)benzoyl]amino]-4-methylpentanoic acid
CID 91416190

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-hydroxybenzoyl)amino]pentanoic acid?
The IUPAC name of (2R)-2-[(4-hydroxybenzoyl)amino]pentanoic acid (CID 107563370) is (2R)-2-[(4-hydroxybenzoyl)amino]pentanoic acid.
What is the SMILES notation for (2R)-2-[(4-hydroxybenzoyl)amino]pentanoic acid?
The canonical SMILES for (2R)-2-[(4-hydroxybenzoyl)amino]pentanoic acid is CCC[C@@H](NC(=O)c1ccc(O)cc1)C(=O)O.
What is the InChIKey of (2R)-2-[(4-hydroxybenzoyl)amino]pentanoic acid?
The InChIKey is TZRSQZQEOACZKF-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H15NO4/c1-2-3-10(12(16)17)13-11(15)8-4-6-9(14)7-5-8/h4-7,10,14H,2-3H2,1H3,(H,13,15)(H,16,17)/t10-/m1/s1.
What are the key properties of (2R)-2-[(4-hydroxybenzoyl)amino]pentanoic acid?
(2R)-2-[(4-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 (2R)-2-[(4-hydroxybenzoyl)amino]pentanoic acid is sourced from PubChem (CID 107563370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).