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

C12H15ClN2O3 — CID 107564789

IUPAC(2R)-2-[(2-chlorophenyl)carbamoylamino]pentanoic acid
SMILESCCC[C@@H](NC(=O)Nc1ccccc1Cl)C(=O)O
InChIInChI=1S/C12H15ClN2O3/c1-2-5-10(11(16)17)15-12(18)14-9-7-4-3-6-8(9)13/h3-4,6-7,10H,2,5H2,1H3,(H,16,17)(H2,14,15,18)/t10-/m1/s1
InChIKeyPSRQRKWZCPPBFD-SNVBAGLBSA-N
MW270.72 g/mol
LogP2.71
Rot. Bonds5

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

(2R)-2-[(2-chlorophenyl)carbamoylamino]pentanoic acid (PubChem CID 107564789) has the molecular formula C12H15ClN2O3 and a molecular weight of 270.72 g/mol. Its IUPAC name is (2R)-2-[(2-chlorophenyl)carbamoylamino]pentanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2-chlorophenyl)carbamoylamino]pentanoic acid
PubChem CID107564789
Molecular FormulaC12H15ClN2O3
Molecular Weight270.72 g/mol
Exact Mass270.08
IUPAC Name(2R)-2-[(2-chlorophenyl)carbamoylamino]pentanoic acid
SMILESCCC[C@@H](NC(=O)Nc1ccccc1Cl)C(=O)O
InChIInChI=1S/C12H15ClN2O3/c1-2-5-10(11(16)17)15-12(18)14-9-7-4-3-6-8(9)13/h3-4,6-7,10H,2,5H2,1H3,(H,16,17)(H2,14,15,18)/t10-/m1/s1
InChIKeyPSRQRKWZCPPBFD-SNVBAGLBSA-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-[(2,5-dichlorophenyl)carbamoylamino]pentanoic acid
CID 107564807
(2S)-2-[(2-bromophenyl)carbamoylamino]pentanoic acid
CID 107566056
(2R)-2-[[2-(methoxymethyl)phenyl]carbamoylamino]pentanoic acid
CID 107566509
(2S)-2-[(2-fluoro-3-methylphenyl)carbamoylamino]pentanoic acid
CID 114254327
(2S)-2-[(2-chloro-5-nitrophenyl)carbamoylamino]pentanoic acid
CID 107566662
1-(2-chlorophenyl)-3-pentan-3-ylurea
CID 47103627
2-[(2-chlorophenyl)carbamoylamino]propanoic acid
CID 3838662
(2S)-2-[(2-ethylphenyl)carbamoylamino]hexanoic acid
CID 107145410
(2R,3S)-2-[(2-chlorophenyl)carbamoylamino]-3-methylpentanoic acid
CID 51554188
2-[(2,5-dichlorophenyl)carbamoylamino]hexanoic acid
CID 43555003
2-[(2-bromo-3-chlorophenyl)carbamoylamino]-4-hydroxybutanoic acid
CID 103480767
2-[(3-chlorophenyl)carbamoylamino]pentanoic acid
CID 43631122

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-chlorophenyl)carbamoylamino]pentanoic acid?
The IUPAC name of (2R)-2-[(2-chlorophenyl)carbamoylamino]pentanoic acid (CID 107564789) is (2R)-2-[(2-chlorophenyl)carbamoylamino]pentanoic acid.
What is the SMILES notation for (2R)-2-[(2-chlorophenyl)carbamoylamino]pentanoic acid?
The canonical SMILES for (2R)-2-[(2-chlorophenyl)carbamoylamino]pentanoic acid is CCC[C@@H](NC(=O)Nc1ccccc1Cl)C(=O)O.
What is the InChIKey of (2R)-2-[(2-chlorophenyl)carbamoylamino]pentanoic acid?
The InChIKey is PSRQRKWZCPPBFD-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H15ClN2O3/c1-2-5-10(11(16)17)15-12(18)14-9-7-4-3-6-8(9)13/h3-4,6-7,10H,2,5H2,1H3,(H,16,17)(H2,14,15,18)/t10-/m1/s1.
What are the key properties of (2R)-2-[(2-chlorophenyl)carbamoylamino]pentanoic acid?
(2R)-2-[(2-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 (2R)-2-[(2-chlorophenyl)carbamoylamino]pentanoic acid is sourced from PubChem (CID 107564789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).