(2R)-2-[(3-chloro-4-hydroxybenzoyl)amino]pentanoic acid

C12H14ClNO4 — CID 107563234

IUPAC(2R)-2-[(3-chloro-4-hydroxybenzoyl)amino]pentanoic acid
SMILESCCC[C@@H](NC(=O)c1ccc(O)c(Cl)c1)C(=O)O
InChIInChI=1S/C12H14ClNO4/c1-2-3-9(12(17)18)14-11(16)7-4-5-10(15)8(13)6-7/h4-6,9,15H,2-3H2,1H3,(H,14,16)(H,17,18)/t9-/m1/s1
InChIKeyXIRZCFAKZPUCCD-SECBINFHSA-N
MW271.70 g/mol
LogP2.03
Rot. Bonds5

About (2R)-2-[(3-chloro-4-hydroxybenzoyl)amino]pentanoic acid

(2R)-2-[(3-chloro-4-hydroxybenzoyl)amino]pentanoic acid (PubChem CID 107563234) has the molecular formula C12H14ClNO4 and a molecular weight of 271.70 g/mol. Its IUPAC name is (2R)-2-[(3-chloro-4-hydroxybenzoyl)amino]pentanoic acid.

Molecular Properties

Compound Name(2R)-2-[(3-chloro-4-hydroxybenzoyl)amino]pentanoic acid
PubChem CID107563234
Molecular FormulaC12H14ClNO4
Molecular Weight271.70 g/mol
Exact Mass271.06
IUPAC Name(2R)-2-[(3-chloro-4-hydroxybenzoyl)amino]pentanoic acid
SMILESCCC[C@@H](NC(=O)c1ccc(O)c(Cl)c1)C(=O)O
InChIInChI=1S/C12H14ClNO4/c1-2-3-9(12(17)18)14-11(16)7-4-5-10(15)8(13)6-7/h4-6,9,15H,2-3H2,1H3,(H,14,16)(H,17,18)/t9-/m1/s1
InChIKeyXIRZCFAKZPUCCD-SECBINFHSA-N
XLogP2.03
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.70
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-hexan-3-yl-4-hydroxybenzamide
CID 62046987
(2R)-2-[(4-amino-3,5-dichlorobenzoyl)amino]pentanoic acid
CID 107564962
(2R)-2-[(4-hydroxybenzoyl)amino]pentanoic acid
CID 107563370
2-[(4-chloro-3-methylsulfonylbenzoyl)amino]pentanoic acid
CID 43630484
2-[(3-hydroxy-4-methoxybenzoyl)amino]pentanoic acid
CID 79726159
2-[(3,5-dichloro-4-methoxybenzoyl)amino]pentanoic acid
CID 43631004
2-[[4-(propan-2-ylcarbamoyl)benzoyl]amino]pentanoic acid
CID 120534623
(2R)-2-[(3,4-dihydroxybenzoyl)amino]butanoic acid
CID 107728136
(2R)-2-[(4-phenylbenzoyl)amino]pentanoic acid
CID 126627406
2-(quinoxaline-6-carbonylamino)pentanoic acid
CID 62849348
(2R)-2-[(2-hydroxy-5-methylbenzoyl)amino]pentanoic acid
CID 107563235
(2S)-2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)pentanoic acid
CID 41302849

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3-chloro-4-hydroxybenzoyl)amino]pentanoic acid?
The IUPAC name of (2R)-2-[(3-chloro-4-hydroxybenzoyl)amino]pentanoic acid (CID 107563234) is (2R)-2-[(3-chloro-4-hydroxybenzoyl)amino]pentanoic acid.
What is the SMILES notation for (2R)-2-[(3-chloro-4-hydroxybenzoyl)amino]pentanoic acid?
The canonical SMILES for (2R)-2-[(3-chloro-4-hydroxybenzoyl)amino]pentanoic acid is CCC[C@@H](NC(=O)c1ccc(O)c(Cl)c1)C(=O)O.
What is the InChIKey of (2R)-2-[(3-chloro-4-hydroxybenzoyl)amino]pentanoic acid?
The InChIKey is XIRZCFAKZPUCCD-SECBINFHSA-N. The full InChI is InChI=1S/C12H14ClNO4/c1-2-3-9(12(17)18)14-11(16)7-4-5-10(15)8(13)6-7/h4-6,9,15H,2-3H2,1H3,(H,14,16)(H,17,18)/t9-/m1/s1.
What are the key properties of (2R)-2-[(3-chloro-4-hydroxybenzoyl)amino]pentanoic acid?
(2R)-2-[(3-chloro-4-hydroxybenzoyl)amino]pentanoic acid has a molecular weight of 271.70 g/mol, XLogP of 2.03, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3-chloro-4-hydroxybenzoyl)amino]pentanoic acid is sourced from PubChem (CID 107563234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).