methyl 2-[(2-chlorophenyl)methylamino]acetate

C10H12ClNO2 — CID 15280940

IUPACmethyl 2-[(2-chlorophenyl)methylamino]acetate
SMILESCOC(=O)CNCc1ccccc1Cl
InChIInChI=1S/C10H12ClNO2/c1-14-10(13)7-12-6-8-4-2-3-5-9(8)11/h2-5,12H,6-7H2,1H3
InChIKeyWEPDHMPDYCDFON-UHFFFAOYSA-N
MW213.66 g/mol
LogP1.60
Rot. Bonds4

About methyl 2-[(2-chlorophenyl)methylamino]acetate

methyl 2-[(2-chlorophenyl)methylamino]acetate (PubChem CID 15280940) has the molecular formula C10H12ClNO2 and a molecular weight of 213.66 g/mol. Its IUPAC name is methyl 2-[(2-chlorophenyl)methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-chlorophenyl)methylamino]acetate
PubChem CID15280940
Molecular FormulaC10H12ClNO2
Molecular Weight213.66 g/mol
Exact Mass213.06
IUPAC Namemethyl 2-[(2-chlorophenyl)methylamino]acetate
SMILESCOC(=O)CNCc1ccccc1Cl
InChIInChI=1S/C10H12ClNO2/c1-14-10(13)7-12-6-8-4-2-3-5-9(8)11/h2-5,12H,6-7H2,1H3
InChIKeyWEPDHMPDYCDFON-UHFFFAOYSA-N
XLogP1.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.66
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 2-[(2-chlorophenyl)methylamino]acetate 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 methyl 2-[(2-chlorophenyl)methylamino]acetate?
The IUPAC name of methyl 2-[(2-chlorophenyl)methylamino]acetate (CID 15280940) is methyl 2-[(2-chlorophenyl)methylamino]acetate.
What is the SMILES notation for methyl 2-[(2-chlorophenyl)methylamino]acetate?
The canonical SMILES for methyl 2-[(2-chlorophenyl)methylamino]acetate is COC(=O)CNCc1ccccc1Cl.
What is the InChIKey of methyl 2-[(2-chlorophenyl)methylamino]acetate?
The InChIKey is WEPDHMPDYCDFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO2/c1-14-10(13)7-12-6-8-4-2-3-5-9(8)11/h2-5,12H,6-7H2,1H3.
What are the key properties of methyl 2-[(2-chlorophenyl)methylamino]acetate?
methyl 2-[(2-chlorophenyl)methylamino]acetate has a molecular weight of 213.66 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-chlorophenyl)methylamino]acetate is sourced from PubChem (CID 15280940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).