(2R)-2-(2-chlorophenyl)-2-[[cyclopropyl(prop-2-enyl)carbamoyl]amino]acetic acid

C15H17ClN2O3 — CID 107316106

IUPAC(2R)-2-(2-chlorophenyl)-2-[[cyclopropyl(prop-2-enyl)carbamoyl]amino]acetic acid
SMILESC=CCN(C(=O)N[C@@H](C(=O)O)c1ccccc1Cl)C1CC1
InChIInChI=1S/C15H17ClN2O3/c1-2-9-18(10-7-8-10)15(21)17-13(14(19)20)11-5-3-4-6-12(11)16/h2-6,10,13H,1,7-9H2,(H,17,21)(H,19,20)/t13-/m1/s1
InChIKeyQMAZRQLEWPLCSD-CYBMUJFWSA-N
MW308.76 g/mol
LogP2.83
Rot. Bonds6

About (2R)-2-(2-chlorophenyl)-2-[[cyclopropyl(prop-2-enyl)carbamoyl]amino]acetic acid

(2R)-2-(2-chlorophenyl)-2-[[cyclopropyl(prop-2-enyl)carbamoyl]amino]acetic acid (PubChem CID 107316106) has the molecular formula C15H17ClN2O3 and a molecular weight of 308.76 g/mol. Its IUPAC name is (2R)-2-(2-chlorophenyl)-2-[[cyclopropyl(prop-2-enyl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name(2R)-2-(2-chlorophenyl)-2-[[cyclopropyl(prop-2-enyl)carbamoyl]amino]acetic acid
PubChem CID107316106
Molecular FormulaC15H17ClN2O3
Molecular Weight308.76 g/mol
Exact Mass308.09
IUPAC Name(2R)-2-(2-chlorophenyl)-2-[[cyclopropyl(prop-2-enyl)carbamoyl]amino]acetic acid
SMILESC=CCN(C(=O)N[C@@H](C(=O)O)c1ccccc1Cl)C1CC1
InChIInChI=1S/C15H17ClN2O3/c1-2-9-18(10-7-8-10)15(21)17-13(14(19)20)11-5-3-4-6-12(11)16/h2-6,10,13H,1,7-9H2,(H,17,21)(H,19,20)/t13-/m1/s1
InChIKeyQMAZRQLEWPLCSD-CYBMUJFWSA-N
XLogP2.83
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.76
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2R)-2-(2-chlorophenyl)-2-[[cyclopropyl(prop-2-enyl)carbamoyl]amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-chlorophenyl)-2-[[cyclopropyl(prop-2-enyl)carbamoyl]amino]acetic acid?
The IUPAC name of (2R)-2-(2-chlorophenyl)-2-[[cyclopropyl(prop-2-enyl)carbamoyl]amino]acetic acid (CID 107316106) is (2R)-2-(2-chlorophenyl)-2-[[cyclopropyl(prop-2-enyl)carbamoyl]amino]acetic acid.
What is the SMILES notation for (2R)-2-(2-chlorophenyl)-2-[[cyclopropyl(prop-2-enyl)carbamoyl]amino]acetic acid?
The canonical SMILES for (2R)-2-(2-chlorophenyl)-2-[[cyclopropyl(prop-2-enyl)carbamoyl]amino]acetic acid is C=CCN(C(=O)N[C@@H](C(=O)O)c1ccccc1Cl)C1CC1.
What is the InChIKey of (2R)-2-(2-chlorophenyl)-2-[[cyclopropyl(prop-2-enyl)carbamoyl]amino]acetic acid?
The InChIKey is QMAZRQLEWPLCSD-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H17ClN2O3/c1-2-9-18(10-7-8-10)15(21)17-13(14(19)20)11-5-3-4-6-12(11)16/h2-6,10,13H,1,7-9H2,(H,17,21)(H,19,20)/t13-/m1/s1.
What are the key properties of (2R)-2-(2-chlorophenyl)-2-[[cyclopropyl(prop-2-enyl)carbamoyl]amino]acetic acid?
(2R)-2-(2-chlorophenyl)-2-[[cyclopropyl(prop-2-enyl)carbamoyl]amino]acetic acid has a molecular weight of 308.76 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-chlorophenyl)-2-[[cyclopropyl(prop-2-enyl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 107316106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).