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

C15H20N2O3 — CID 116682828

IUPAC2-[1-[(2-ethylphenyl)carbamoyl]azetidin-3-yl]propanoic acid
SMILESCCc1ccccc1NC(=O)N1CC(C(C)C(=O)O)C1
InChIInChI=1S/C15H20N2O3/c1-3-11-6-4-5-7-13(11)16-15(20)17-8-12(9-17)10(2)14(18)19/h4-7,10,12H,3,8-9H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyDOEKGYBANKOCHW-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.43
Rot. Bonds4

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

2-[1-[(2-ethylphenyl)carbamoyl]azetidin-3-yl]propanoic acid (PubChem CID 116682828) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-[1-[(2-ethylphenyl)carbamoyl]azetidin-3-yl]propanoic acid.

Molecular Properties

Compound Name2-[1-[(2-ethylphenyl)carbamoyl]azetidin-3-yl]propanoic acid
PubChem CID116682828
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name2-[1-[(2-ethylphenyl)carbamoyl]azetidin-3-yl]propanoic acid
SMILESCCc1ccccc1NC(=O)N1CC(C(C)C(=O)O)C1
InChIInChI=1S/C15H20N2O3/c1-3-11-6-4-5-7-13(11)16-15(20)17-8-12(9-17)10(2)14(18)19/h4-7,10,12H,3,8-9H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyDOEKGYBANKOCHW-UHFFFAOYSA-N
XLogP2.43
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[1-[(2-ethylphenyl)carbamoyl]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-ethylphenyl)methylcarbamoyl]azetidin-3-yl]propanoic acid
CID 116683401
2-[1-[[2-(dimethylamino)phenyl]carbamoyl]azetidin-3-yl]propanoic acid
CID 106760393
2-[1-[(2,3-dichlorophenyl)carbamoyl]azetidin-3-yl]propanoic acid
CID 116682846
1-[(2-ethylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 43318533
(3S)-1-[(2-ethylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 28512559
3-ethyl-N-(2-ethylphenyl)piperidine-1-carboxamide
CID 86987456
2-[1-[(4-ethylphenyl)methylcarbamoyl]azetidin-3-yl]propanoic acid
CID 106900508
2-[1-(2-phenylethylcarbamoyl)azetidin-3-yl]propanoic acid
CID 116682805
2-[1-[(5-chloro-2-methylphenyl)carbamoyl]azetidin-3-yl]propanoic acid
CID 116682712
N-(2-benzylphenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111113013
(3R,4R)-1-[(2-ethylphenyl)carbamoyl]-4-hydroxy-3-(3-methylbutyl)piperidine-3-carboxylic acid
CID 157017455
4-methyl-1-[(2-propylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63721642

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-ethylphenyl)carbamoyl]azetidin-3-yl]propanoic acid?
The IUPAC name of 2-[1-[(2-ethylphenyl)carbamoyl]azetidin-3-yl]propanoic acid (CID 116682828) is 2-[1-[(2-ethylphenyl)carbamoyl]azetidin-3-yl]propanoic acid.
What is the SMILES notation for 2-[1-[(2-ethylphenyl)carbamoyl]azetidin-3-yl]propanoic acid?
The canonical SMILES for 2-[1-[(2-ethylphenyl)carbamoyl]azetidin-3-yl]propanoic acid is CCc1ccccc1NC(=O)N1CC(C(C)C(=O)O)C1.
What is the InChIKey of 2-[1-[(2-ethylphenyl)carbamoyl]azetidin-3-yl]propanoic acid?
The InChIKey is DOEKGYBANKOCHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-3-11-6-4-5-7-13(11)16-15(20)17-8-12(9-17)10(2)14(18)19/h4-7,10,12H,3,8-9H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 2-[1-[(2-ethylphenyl)carbamoyl]azetidin-3-yl]propanoic acid?
2-[1-[(2-ethylphenyl)carbamoyl]azetidin-3-yl]propanoic acid has a molecular weight of 276.34 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-ethylphenyl)carbamoyl]azetidin-3-yl]propanoic acid is sourced from PubChem (CID 116682828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).