2-[3-[1-(2-chlorophenyl)ethylamino]azetidin-3-yl]acetic acid

C13H17ClN2O2 — CID 107142528

IUPAC2-[3-[1-(2-chlorophenyl)ethylamino]azetidin-3-yl]acetic acid
SMILESCC(NC1(CC(=O)O)CNC1)c1ccccc1Cl
InChIInChI=1S/C13H17ClN2O2/c1-9(10-4-2-3-5-11(10)14)16-13(6-12(17)18)7-15-8-13/h2-5,9,15-16H,6-8H2,1H3,(H,17,18)
InChIKeyMDOQZOIUPSEIQK-UHFFFAOYSA-N
MW268.74 g/mol
LogP1.81
Rot. Bonds5

About 2-[3-[1-(2-chlorophenyl)ethylamino]azetidin-3-yl]acetic acid

2-[3-[1-(2-chlorophenyl)ethylamino]azetidin-3-yl]acetic acid (PubChem CID 107142528) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is 2-[3-[1-(2-chlorophenyl)ethylamino]azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[1-(2-chlorophenyl)ethylamino]azetidin-3-yl]acetic acid
PubChem CID107142528
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name2-[3-[1-(2-chlorophenyl)ethylamino]azetidin-3-yl]acetic acid
SMILESCC(NC1(CC(=O)O)CNC1)c1ccccc1Cl
InChIInChI=1S/C13H17ClN2O2/c1-9(10-4-2-3-5-11(10)14)16-13(6-12(17)18)7-15-8-13/h2-5,9,15-16H,6-8H2,1H3,(H,17,18)
InChIKeyMDOQZOIUPSEIQK-UHFFFAOYSA-N
XLogP1.81
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[3-[1-(2-chlorophenyl)ethylamino]azetidin-3-yl]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-[3-[[(1R)-1-(3-chlorophenyl)ethyl]amino]azetidin-3-yl]acetic acid
CID 107142914
2-[3-(2-phenylpropylamino)azetidin-3-yl]acetic acid
CID 107143104
2-[3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]azetidin-3-yl]acetic acid
CID 107142609
N-[(1S)-1-(2-chlorophenyl)ethyl]-4-ethylpiperidine-4-carboxamide
CID 81379266
2-[[[(1R)-1-(2-chlorophenyl)ethyl]amino]methyl]prop-2-enoic acid
CID 103260158
3-[1-(2-chlorophenyl)ethylamino]-2-phenylpropanoic acid
CID 64558637
2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-phenylacetamide
CID 32704244
3-(2-chlorophenyl)butanoic acid
CID 54775987
2-[1-(2-chlorophenyl)ethylamino]benzoic acid
CID 43322123
phenyl N-[(1R)-1-(2-chlorophenyl)ethyl]carbamate
CID 81378918
2-[[(1R)-1-(2-chlorophenyl)ethyl]sulfamoyl]propanoic acid
CID 81377048
N-[1-(2-chlorophenyl)ethyl]-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119943839

Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-(2-chlorophenyl)ethylamino]azetidin-3-yl]acetic acid?
The IUPAC name of 2-[3-[1-(2-chlorophenyl)ethylamino]azetidin-3-yl]acetic acid (CID 107142528) is 2-[3-[1-(2-chlorophenyl)ethylamino]azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[3-[1-(2-chlorophenyl)ethylamino]azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[3-[1-(2-chlorophenyl)ethylamino]azetidin-3-yl]acetic acid is CC(NC1(CC(=O)O)CNC1)c1ccccc1Cl.
What is the InChIKey of 2-[3-[1-(2-chlorophenyl)ethylamino]azetidin-3-yl]acetic acid?
The InChIKey is MDOQZOIUPSEIQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-9(10-4-2-3-5-11(10)14)16-13(6-12(17)18)7-15-8-13/h2-5,9,15-16H,6-8H2,1H3,(H,17,18).
What are the key properties of 2-[3-[1-(2-chlorophenyl)ethylamino]azetidin-3-yl]acetic acid?
2-[3-[1-(2-chlorophenyl)ethylamino]azetidin-3-yl]acetic acid has a molecular weight of 268.74 g/mol, XLogP of 1.81, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-(2-chlorophenyl)ethylamino]azetidin-3-yl]acetic acid is sourced from PubChem (CID 107142528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).