3-[[(2-chlorophenyl)methyl-methylcarbamoyl]amino]propanoic acid

C12H15ClN2O3 — CID 61414586

IUPAC3-[[(2-chlorophenyl)methyl-methylcarbamoyl]amino]propanoic acid
SMILESCN(Cc1ccccc1Cl)C(=O)NCCC(=O)O
InChIInChI=1S/C12H15ClN2O3/c1-15(12(18)14-7-6-11(16)17)8-9-4-2-3-5-10(9)13/h2-5H,6-8H2,1H3,(H,14,18)(H,16,17)
InChIKeyNPDNFAVAVWWFDE-UHFFFAOYSA-N
MW270.72 g/mol
LogP1.96
Rot. Bonds5

About 3-[[(2-chlorophenyl)methyl-methylcarbamoyl]amino]propanoic acid

3-[[(2-chlorophenyl)methyl-methylcarbamoyl]amino]propanoic acid (PubChem CID 61414586) has the molecular formula C12H15ClN2O3 and a molecular weight of 270.72 g/mol. Its IUPAC name is 3-[[(2-chlorophenyl)methyl-methylcarbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[(2-chlorophenyl)methyl-methylcarbamoyl]amino]propanoic acid
PubChem CID61414586
Molecular FormulaC12H15ClN2O3
Molecular Weight270.72 g/mol
Exact Mass270.08
IUPAC Name3-[[(2-chlorophenyl)methyl-methylcarbamoyl]amino]propanoic acid
SMILESCN(Cc1ccccc1Cl)C(=O)NCCC(=O)O
InChIInChI=1S/C12H15ClN2O3/c1-15(12(18)14-7-6-11(16)17)8-9-4-2-3-5-10(9)13/h2-5H,6-8H2,1H3,(H,14,18)(H,16,17)
InChIKeyNPDNFAVAVWWFDE-UHFFFAOYSA-N
XLogP1.96
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[[(2-chlorophenyl)methyl-methylcarbamoyl]amino]propanoic acid with MolForge

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

Launch Full Analysis

Related Compounds

1-[(2-chlorophenyl)methyl]-1-methyl-3-(2-phenylethyl)urea
CID 27533879
2-[[2-[[(2-chlorophenyl)methyl-methylcarbamoyl]amino]acetyl]amino]acetic acid
CID 61414920
3-[[(2-chlorophenyl)methyl-methylcarbamoyl]-methylamino]propanoic acid
CID 61415066
N-[2-[[(2,3-dichlorophenyl)methyl-methylcarbamoyl]amino]ethyl]benzamide
CID 55589948
ethyl 2-[[(2-chlorophenyl)methyl-methylcarbamoyl]amino]acetate
CID 47103192
3-[2-(1-benzothiophen-3-yl)ethyl]-1-[(2-chlorophenyl)methyl]-1-methylurea
CID 112838134
3-[[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]amino]propanoic acid
CID 61424514
2-[[(2-chlorophenyl)methyl-methylcarbamoyl]amino]-3-hydroxypropanoic acid
CID 61414825
4-[[benzyl(methyl)carbamoyl]amino]butanoic acid
CID 28511357
2-[(2-chlorophenyl)methyl-methylcarbamoyl]benzoic acid
CID 43399794
1-[(2-chlorophenyl)methyl]-1-methylurea
CID 60703173
3-[[(5-bromo-2-fluorophenyl)methyl-methylcarbamoyl]amino]propanoic acid
CID 122019134

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-chlorophenyl)methyl-methylcarbamoyl]amino]propanoic acid?
The IUPAC name of 3-[[(2-chlorophenyl)methyl-methylcarbamoyl]amino]propanoic acid (CID 61414586) is 3-[[(2-chlorophenyl)methyl-methylcarbamoyl]amino]propanoic acid.
What is the SMILES notation for 3-[[(2-chlorophenyl)methyl-methylcarbamoyl]amino]propanoic acid?
The canonical SMILES for 3-[[(2-chlorophenyl)methyl-methylcarbamoyl]amino]propanoic acid is CN(Cc1ccccc1Cl)C(=O)NCCC(=O)O.
What is the InChIKey of 3-[[(2-chlorophenyl)methyl-methylcarbamoyl]amino]propanoic acid?
The InChIKey is NPDNFAVAVWWFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O3/c1-15(12(18)14-7-6-11(16)17)8-9-4-2-3-5-10(9)13/h2-5H,6-8H2,1H3,(H,14,18)(H,16,17).
What are the key properties of 3-[[(2-chlorophenyl)methyl-methylcarbamoyl]amino]propanoic acid?
3-[[(2-chlorophenyl)methyl-methylcarbamoyl]amino]propanoic acid has a molecular weight of 270.72 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-chlorophenyl)methyl-methylcarbamoyl]amino]propanoic acid is sourced from PubChem (CID 61414586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).