2-[1-(4-ethylbenzoyl)azetidin-3-yl]propanoic acid

C15H19NO3 — CID 116681101

IUPAC2-[1-(4-ethylbenzoyl)azetidin-3-yl]propanoic acid
SMILESCCc1ccc(C(=O)N2CC(C(C)C(=O)O)C2)cc1
InChIInChI=1S/C15H19NO3/c1-3-11-4-6-12(7-5-11)14(17)16-8-13(9-16)10(2)15(18)19/h4-7,10,13H,3,8-9H2,1-2H3,(H,18,19)
InChIKeyAHRANTKJJIGDBB-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.04
Rot. Bonds4

About 2-[1-(4-ethylbenzoyl)azetidin-3-yl]propanoic acid

2-[1-(4-ethylbenzoyl)azetidin-3-yl]propanoic acid (PubChem CID 116681101) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-[1-(4-ethylbenzoyl)azetidin-3-yl]propanoic acid.

Molecular Properties

Compound Name2-[1-(4-ethylbenzoyl)azetidin-3-yl]propanoic acid
PubChem CID116681101
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name2-[1-(4-ethylbenzoyl)azetidin-3-yl]propanoic acid
SMILESCCc1ccc(C(=O)N2CC(C(C)C(=O)O)C2)cc1
InChIInChI=1S/C15H19NO3/c1-3-11-4-6-12(7-5-11)14(17)16-8-13(9-16)10(2)15(18)19/h4-7,10,13H,3,8-9H2,1-2H3,(H,18,19)
InChIKeyAHRANTKJJIGDBB-UHFFFAOYSA-N
XLogP2.04
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[1-(4-ethylbenzoyl)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-(4-butylbenzoyl)azetidin-3-yl]propanoic acid
CID 116681152
2-[1-(4-methoxybenzoyl)azetidin-3-yl]propanoic acid
CID 116680825
2-[1-[(4-ethylphenyl)methylcarbamoyl]azetidin-3-yl]propanoic acid
CID 106900508
2-[1-(4-acetamidobenzoyl)azetidin-3-yl]propanoic acid
CID 116680919
2-[1-(3,5-dibromobenzoyl)azetidin-3-yl]propanoic acid
CID 114022552
2-[1-(6-oxo-1H-pyridine-3-carbonyl)azetidin-3-yl]propanoic acid
CID 116681235
[4-(difluoromethyl)piperidin-1-yl]-(4-ethylphenyl)methanone
CID 118929982
(3-azidoazetidin-1-yl)-(4-ethylphenyl)methanone
CID 121200689
2-[1-[5-(aminomethyl)furan-2-carbonyl]azetidin-3-yl]propanoic acid
CID 116682263
[(1R,5R)-3,6-diazabicyclo[3.2.0]heptan-3-yl]-(4-ethylphenyl)methanone
CID 121451763
2-[1-[2-(4-ethylanilino)-2-oxoethyl]azetidin-3-yl]propanoic acid
CID 116683844
2-[1-(3-methoxy-4-methylbenzoyl)azetidin-3-yl]propanoic acid
CID 116681043

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-ethylbenzoyl)azetidin-3-yl]propanoic acid?
The IUPAC name of 2-[1-(4-ethylbenzoyl)azetidin-3-yl]propanoic acid (CID 116681101) is 2-[1-(4-ethylbenzoyl)azetidin-3-yl]propanoic acid.
What is the SMILES notation for 2-[1-(4-ethylbenzoyl)azetidin-3-yl]propanoic acid?
The canonical SMILES for 2-[1-(4-ethylbenzoyl)azetidin-3-yl]propanoic acid is CCc1ccc(C(=O)N2CC(C(C)C(=O)O)C2)cc1.
What is the InChIKey of 2-[1-(4-ethylbenzoyl)azetidin-3-yl]propanoic acid?
The InChIKey is AHRANTKJJIGDBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-3-11-4-6-12(7-5-11)14(17)16-8-13(9-16)10(2)15(18)19/h4-7,10,13H,3,8-9H2,1-2H3,(H,18,19).
What are the key properties of 2-[1-(4-ethylbenzoyl)azetidin-3-yl]propanoic acid?
2-[1-(4-ethylbenzoyl)azetidin-3-yl]propanoic acid has a molecular weight of 261.32 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-ethylbenzoyl)azetidin-3-yl]propanoic acid is sourced from PubChem (CID 116681101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).