2-[3-[[(1R)-1-(3-chlorophenyl)ethyl]amino]azetidin-3-yl]acetic acid

C13H17ClN2O2 — CID 107142914

IUPAC2-[3-[[(1R)-1-(3-chlorophenyl)ethyl]amino]azetidin-3-yl]acetic acid
SMILESC[C@@H](NC1(CC(=O)O)CNC1)c1cccc(Cl)c1
InChIInChI=1S/C13H17ClN2O2/c1-9(10-3-2-4-11(14)5-10)16-13(6-12(17)18)7-15-8-13/h2-5,9,15-16H,6-8H2,1H3,(H,17,18)/t9-/m1/s1
InChIKeyFUOFNPASZDUQBT-SECBINFHSA-N
MW268.74 g/mol
LogP1.81
Rot. Bonds5

About 2-[3-[[(1R)-1-(3-chlorophenyl)ethyl]amino]azetidin-3-yl]acetic acid

2-[3-[[(1R)-1-(3-chlorophenyl)ethyl]amino]azetidin-3-yl]acetic acid (PubChem CID 107142914) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is 2-[3-[[(1R)-1-(3-chlorophenyl)ethyl]amino]azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[[(1R)-1-(3-chlorophenyl)ethyl]amino]azetidin-3-yl]acetic acid
PubChem CID107142914
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name2-[3-[[(1R)-1-(3-chlorophenyl)ethyl]amino]azetidin-3-yl]acetic acid
SMILESC[C@@H](NC1(CC(=O)O)CNC1)c1cccc(Cl)c1
InChIInChI=1S/C13H17ClN2O2/c1-9(10-3-2-4-11(14)5-10)16-13(6-12(17)18)7-15-8-13/h2-5,9,15-16H,6-8H2,1H3,(H,17,18)/t9-/m1/s1
InChIKeyFUOFNPASZDUQBT-SECBINFHSA-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-[[(1R)-1-(3-chlorophenyl)ethyl]amino]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

4-[[(1R)-1-(3-chlorophenyl)ethyl]amino]butanoic acid
CID 81372584
N-[1-(3-chlorophenyl)ethyl]-4-ethylpiperidine-4-carboxamide
CID 63128913
N-[(1R)-1-(3-chlorophenyl)ethyl]-3-propylpyrrolidine-3-carboxamide
CID 81372776
3-(3-chlorophenyl)butanoic acid
CID 71683749
N-[1-(3-chlorophenyl)ethyl]-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980234
2-chloro-N-[1-(3-chlorophenyl)ethyl]acetamide
CID 3764710
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-phenylacetamide
CID 9330859
1-benzyl-3-[(1S)-1-(3-chlorophenyl)ethyl]urea
CID 27533669
2-(1-aminocyclopentyl)-N-[1-(3-chlorophenyl)ethyl]acetamide
CID 64677551
2-(1-aminocyclobutyl)-N-[(1R)-1-(3-chlorophenyl)ethyl]acetamide
CID 81371808
1-[1-(3-chlorophenyl)ethyl]-3-methylurea
CID 47127326
1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]ethanamine
CID 43099530

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[(1R)-1-(3-chlorophenyl)ethyl]amino]azetidin-3-yl]acetic acid?
The IUPAC name of 2-[3-[[(1R)-1-(3-chlorophenyl)ethyl]amino]azetidin-3-yl]acetic acid (CID 107142914) is 2-[3-[[(1R)-1-(3-chlorophenyl)ethyl]amino]azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[3-[[(1R)-1-(3-chlorophenyl)ethyl]amino]azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[3-[[(1R)-1-(3-chlorophenyl)ethyl]amino]azetidin-3-yl]acetic acid is C[C@@H](NC1(CC(=O)O)CNC1)c1cccc(Cl)c1.
What is the InChIKey of 2-[3-[[(1R)-1-(3-chlorophenyl)ethyl]amino]azetidin-3-yl]acetic acid?
The InChIKey is FUOFNPASZDUQBT-SECBINFHSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-9(10-3-2-4-11(14)5-10)16-13(6-12(17)18)7-15-8-13/h2-5,9,15-16H,6-8H2,1H3,(H,17,18)/t9-/m1/s1.
What are the key properties of 2-[3-[[(1R)-1-(3-chlorophenyl)ethyl]amino]azetidin-3-yl]acetic acid?
2-[3-[[(1R)-1-(3-chlorophenyl)ethyl]amino]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-[[(1R)-1-(3-chlorophenyl)ethyl]amino]azetidin-3-yl]acetic acid is sourced from PubChem (CID 107142914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).