2-[[1-(3-chlorophenyl)ethyl-methylcarbamoyl]-methylamino]acetic acid

C13H17ClN2O3 — CID 62983892

IUPAC2-[[1-(3-chlorophenyl)ethyl-methylcarbamoyl]-methylamino]acetic acid
SMILESCC(c1cccc(Cl)c1)N(C)C(=O)N(C)CC(=O)O
InChIInChI=1S/C13H17ClN2O3/c1-9(10-5-4-6-11(14)7-10)16(3)13(19)15(2)8-12(17)18/h4-7,9H,8H2,1-3H3,(H,17,18)
InChIKeyYPIXLHCWBQTQFM-UHFFFAOYSA-N
MW284.74 g/mol
LogP2.47
Rot. Bonds4

About 2-[[1-(3-chlorophenyl)ethyl-methylcarbamoyl]-methylamino]acetic acid

2-[[1-(3-chlorophenyl)ethyl-methylcarbamoyl]-methylamino]acetic acid (PubChem CID 62983892) has the molecular formula C13H17ClN2O3 and a molecular weight of 284.74 g/mol. Its IUPAC name is 2-[[1-(3-chlorophenyl)ethyl-methylcarbamoyl]-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[1-(3-chlorophenyl)ethyl-methylcarbamoyl]-methylamino]acetic acid
PubChem CID62983892
Molecular FormulaC13H17ClN2O3
Molecular Weight284.74 g/mol
Exact Mass284.09
IUPAC Name2-[[1-(3-chlorophenyl)ethyl-methylcarbamoyl]-methylamino]acetic acid
SMILESCC(c1cccc(Cl)c1)N(C)C(=O)N(C)CC(=O)O
InChIInChI=1S/C13H17ClN2O3/c1-9(10-5-4-6-11(14)7-10)16(3)13(19)15(2)8-12(17)18/h4-7,9H,8H2,1-3H3,(H,17,18)
InChIKeyYPIXLHCWBQTQFM-UHFFFAOYSA-N
XLogP2.47
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[[1-(3-chlorophenyl)ethyl-methylcarbamoyl]-methylamino]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

Related Compounds

2-[2-(3-chlorophenyl)propanoyl-methylamino]acetic acid
CID 119346309
2-[[2-(3-chlorophenyl)-3-methylbutanoyl]-methylamino]acetic acid
CID 119346472
2-[[1-(3-chlorophenyl)ethyl-methylcarbamoyl]-methylamino]butanoic acid
CID 62984958
2-[1-(3-chlorophenyl)ethyl-propan-2-ylamino]acetic acid
CID 65056740
2-[[1-(2-chlorophenyl)ethyl-methylcarbamoyl]-methylamino]acetic acid
CID 62984778
5-[1-(3-chlorophenyl)ethyl-methylamino]-3,3-dimethyl-5-oxopentanoic acid
CID 62935268
(2R)-2-amino-N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-phenylacetamide
CID 61157254
4-[1-(3-chlorophenyl)ethyl-methylamino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76992749
2-[1-(3-chlorophenyl)ethyl-methylamino]propanoic acid
CID 62979883
3-(3-chlorophenyl)butanoic acid
CID 71683749
N-[1-(3-chlorophenyl)ethyl]-N-methylazepane-1-carboxamide
CID 116655792
(2S)-2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]-N,3-dimethylbutanamide
CID 93469731

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(3-chlorophenyl)ethyl-methylcarbamoyl]-methylamino]acetic acid?
The IUPAC name of 2-[[1-(3-chlorophenyl)ethyl-methylcarbamoyl]-methylamino]acetic acid (CID 62983892) is 2-[[1-(3-chlorophenyl)ethyl-methylcarbamoyl]-methylamino]acetic acid.
What is the SMILES notation for 2-[[1-(3-chlorophenyl)ethyl-methylcarbamoyl]-methylamino]acetic acid?
The canonical SMILES for 2-[[1-(3-chlorophenyl)ethyl-methylcarbamoyl]-methylamino]acetic acid is CC(c1cccc(Cl)c1)N(C)C(=O)N(C)CC(=O)O.
What is the InChIKey of 2-[[1-(3-chlorophenyl)ethyl-methylcarbamoyl]-methylamino]acetic acid?
The InChIKey is YPIXLHCWBQTQFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O3/c1-9(10-5-4-6-11(14)7-10)16(3)13(19)15(2)8-12(17)18/h4-7,9H,8H2,1-3H3,(H,17,18).
What are the key properties of 2-[[1-(3-chlorophenyl)ethyl-methylcarbamoyl]-methylamino]acetic acid?
2-[[1-(3-chlorophenyl)ethyl-methylcarbamoyl]-methylamino]acetic acid has a molecular weight of 284.74 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(3-chlorophenyl)ethyl-methylcarbamoyl]-methylamino]acetic acid is sourced from PubChem (CID 62983892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).