2-[1-(2-phenylethylcarbamoyl)azetidin-3-yl]propanoic acid

C15H20N2O3 — CID 116682805

IUPAC2-[1-(2-phenylethylcarbamoyl)azetidin-3-yl]propanoic acid
SMILESCC(C(=O)O)C1CN(C(=O)NCCc2ccccc2)C1
InChIInChI=1S/C15H20N2O3/c1-11(14(18)19)13-9-17(10-13)15(20)16-8-7-12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3,(H,16,20)(H,18,19)
InChIKeyMKXDIZZFQMZTDI-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.59
Rot. Bonds5

About 2-[1-(2-phenylethylcarbamoyl)azetidin-3-yl]propanoic acid

2-[1-(2-phenylethylcarbamoyl)azetidin-3-yl]propanoic acid (PubChem CID 116682805) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-[1-(2-phenylethylcarbamoyl)azetidin-3-yl]propanoic acid.

Molecular Properties

Compound Name2-[1-(2-phenylethylcarbamoyl)azetidin-3-yl]propanoic acid
PubChem CID116682805
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name2-[1-(2-phenylethylcarbamoyl)azetidin-3-yl]propanoic acid
SMILESCC(C(=O)O)C1CN(C(=O)NCCc2ccccc2)C1
InChIInChI=1S/C15H20N2O3/c1-11(14(18)19)13-9-17(10-13)15(20)16-8-7-12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3,(H,16,20)(H,18,19)
InChIKeyMKXDIZZFQMZTDI-UHFFFAOYSA-N
XLogP1.59
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[1-(2-phenylethylcarbamoyl)azetidin-3-yl]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

2-[1-(2-pyridin-4-ylethylcarbamoyl)azetidin-3-yl]propanoic acid
CID 116682944
2-[1-[2-(4-chlorophenyl)ethylcarbamoyl]azetidin-3-yl]propanoic acid
CID 116682965
4-methyl-1-(2-phenylethylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63721294
2-[1-(propylcarbamoyl)azetidin-3-yl]propanoic acid
CID 116681621
(3S,4R)-3-(dimethylamino)-N-(2-phenylethyl)-4-propan-2-ylpyrrolidine-1-carboxamide
CID 72857475
2-[1-[2-(5-bromothiophen-2-yl)ethylcarbamoyl]azetidin-3-yl]propanoic acid
CID 106040822
2-[1-[(2-ethylphenyl)methylcarbamoyl]azetidin-3-yl]propanoic acid
CID 116683401
5-methyl-1-(2-phenylethylcarbamoyl)piperidine-3-carboxylic acid
CID 122121841
2-[1-[(4-ethylphenyl)methylcarbamoyl]azetidin-3-yl]propanoic acid
CID 106900508
2-[1-[2-(diethylamino)ethylcarbamoyl]azetidin-3-yl]propanoic acid
CID 116682803
2-[1-[(2-ethylphenyl)carbamoyl]azetidin-3-yl]propanoic acid
CID 116682828
2-[1-(4-propan-2-yloxybutylcarbamoyl)azetidin-3-yl]propanoic acid
CID 106004575

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-phenylethylcarbamoyl)azetidin-3-yl]propanoic acid?
The IUPAC name of 2-[1-(2-phenylethylcarbamoyl)azetidin-3-yl]propanoic acid (CID 116682805) is 2-[1-(2-phenylethylcarbamoyl)azetidin-3-yl]propanoic acid.
What is the SMILES notation for 2-[1-(2-phenylethylcarbamoyl)azetidin-3-yl]propanoic acid?
The canonical SMILES for 2-[1-(2-phenylethylcarbamoyl)azetidin-3-yl]propanoic acid is CC(C(=O)O)C1CN(C(=O)NCCc2ccccc2)C1.
What is the InChIKey of 2-[1-(2-phenylethylcarbamoyl)azetidin-3-yl]propanoic acid?
The InChIKey is MKXDIZZFQMZTDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-11(14(18)19)13-9-17(10-13)15(20)16-8-7-12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 2-[1-(2-phenylethylcarbamoyl)azetidin-3-yl]propanoic acid?
2-[1-(2-phenylethylcarbamoyl)azetidin-3-yl]propanoic acid has a molecular weight of 276.34 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-phenylethylcarbamoyl)azetidin-3-yl]propanoic acid is sourced from PubChem (CID 116682805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).