2-[(3-chlorophenyl)carbamoylamino]pentanoic acid

C12H15ClN2O3 — CID 43631122

IUPAC2-[(3-chlorophenyl)carbamoylamino]pentanoic acid
SMILESCCCC(NC(=O)Nc1cccc(Cl)c1)C(=O)O
InChIInChI=1S/C12H15ClN2O3/c1-2-4-10(11(16)17)15-12(18)14-9-6-3-5-8(13)7-9/h3,5-7,10H,2,4H2,1H3,(H,16,17)(H2,14,15,18)
InChIKeyIYISOHBYLATACT-UHFFFAOYSA-N
MW270.72 g/mol
LogP2.71
Rot. Bonds5

About 2-[(3-chlorophenyl)carbamoylamino]pentanoic acid

2-[(3-chlorophenyl)carbamoylamino]pentanoic acid (PubChem CID 43631122) has the molecular formula C12H15ClN2O3 and a molecular weight of 270.72 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)carbamoylamino]pentanoic acid.

Molecular Properties

Compound Name2-[(3-chlorophenyl)carbamoylamino]pentanoic acid
PubChem CID43631122
Molecular FormulaC12H15ClN2O3
Molecular Weight270.72 g/mol
Exact Mass270.08
IUPAC Name2-[(3-chlorophenyl)carbamoylamino]pentanoic acid
SMILESCCCC(NC(=O)Nc1cccc(Cl)c1)C(=O)O
InChIInChI=1S/C12H15ClN2O3/c1-2-4-10(11(16)17)15-12(18)14-9-6-3-5-8(13)7-9/h3,5-7,10H,2,4H2,1H3,(H,16,17)(H2,14,15,18)
InChIKeyIYISOHBYLATACT-UHFFFAOYSA-N
XLogP2.71
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[(3-acetamidophenyl)carbamoylamino]pentanoic acid
CID 107566022
2-[(3-chlorophenyl)carbamoylamino]-4-ethylsulfanylbutanoic acid
CID 108783530
2-[(3-bromophenyl)carbamoylamino]pentanoic acid
CID 61191177
(2R)-2-(3-chloroanilino)pentanoic acid
CID 40801075
(2S)-2-[(3-methylsulfanylphenyl)carbamoylamino]pentanoic acid
CID 107565890
2-[(3-chlorophenyl)carbamoylamino]-N,N-dipentylpentanamide
CID 57239303
(2R)-2-[(3-sulfamoylphenyl)carbamoylamino]pentanoic acid
CID 107565988
(2S)-2-[1-(3-chlorophenyl)ethylcarbamoylamino]pentanoic acid
CID 107566512
(2S)-2-[(2,5-dichlorophenyl)carbamoylamino]pentanoic acid
CID 107564807
1-[(2R)-butan-2-yl]-3-(3-chlorophenyl)urea
CID 1376673
diethyl 2-[(3-chlorophenyl)carbamoylamino]propanedioate
CID 110495007
(2R)-2-[(3-acetamidophenyl)carbamoylamino]-4-hydroxybutanoic acid
CID 107825806

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)carbamoylamino]pentanoic acid?
The IUPAC name of 2-[(3-chlorophenyl)carbamoylamino]pentanoic acid (CID 43631122) is 2-[(3-chlorophenyl)carbamoylamino]pentanoic acid.
What is the SMILES notation for 2-[(3-chlorophenyl)carbamoylamino]pentanoic acid?
The canonical SMILES for 2-[(3-chlorophenyl)carbamoylamino]pentanoic acid is CCCC(NC(=O)Nc1cccc(Cl)c1)C(=O)O.
What is the InChIKey of 2-[(3-chlorophenyl)carbamoylamino]pentanoic acid?
The InChIKey is IYISOHBYLATACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O3/c1-2-4-10(11(16)17)15-12(18)14-9-6-3-5-8(13)7-9/h3,5-7,10H,2,4H2,1H3,(H,16,17)(H2,14,15,18).
What are the key properties of 2-[(3-chlorophenyl)carbamoylamino]pentanoic acid?
2-[(3-chlorophenyl)carbamoylamino]pentanoic acid has a molecular weight of 270.72 g/mol, XLogP of 2.71, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)carbamoylamino]pentanoic acid is sourced from PubChem (CID 43631122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).