3-[(2-phenylazetidine-1-carbonyl)amino]propanoic acid

C13H16N2O3 — CID 122019325

IUPAC3-[(2-phenylazetidine-1-carbonyl)amino]propanoic acid
SMILESO=C(O)CCNC(=O)N1CCC1c1ccccc1
InChIInChI=1S/C13H16N2O3/c16-12(17)6-8-14-13(18)15-9-7-11(15)10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,14,18)(H,16,17)
InChIKeyVVLYRNBXTHWZSW-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.62
Rot. Bonds4

About 3-[(2-phenylazetidine-1-carbonyl)amino]propanoic acid

3-[(2-phenylazetidine-1-carbonyl)amino]propanoic acid (PubChem CID 122019325) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 3-[(2-phenylazetidine-1-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(2-phenylazetidine-1-carbonyl)amino]propanoic acid
PubChem CID122019325
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name3-[(2-phenylazetidine-1-carbonyl)amino]propanoic acid
SMILESO=C(O)CCNC(=O)N1CCC1c1ccccc1
InChIInChI=1S/C13H16N2O3/c16-12(17)6-8-14-13(18)15-9-7-11(15)10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,14,18)(H,16,17)
InChIKeyVVLYRNBXTHWZSW-UHFFFAOYSA-N
XLogP1.62
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[(2-phenylazetidine-1-carbonyl)amino]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

4-[(2-phenylazetidine-1-carbonyl)amino]butanoic acid
CID 122021569
3-[[2-(4-fluorophenyl)pyrrolidine-1-carbonyl]amino]propanoic acid
CID 122019438
4-[(3-phenyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)amino]butanoic acid
CID 122022103
3-[(2-thiophen-3-ylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 122019398
propan-2-yl 3-[[(2R)-2-phenylpyrrolidine-1-carbonyl]amino]propanoate
CID 94044030
3-[[2-(4-methoxyphenyl)azepane-1-carbonyl]amino]propanoic acid
CID 122019457
4-[(5-oxo-7-phenyl-1,4-diazepane-1-carbonyl)amino]butanoic acid
CID 122023249
3-[(2-thiophen-2-ylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 122019481
4-[[2-(4-methylphenyl)pyrrolidine-1-carbonyl]amino]butanoic acid
CID 122021682
4-[[2-(3-bromophenyl)pyrrolidine-1-carbonyl]amino]butanoic acid
CID 122021512
3-[[(1R,5S)-3-phenyl-8-azabicyclo[3.2.1]octane-8-carbonyl]amino]propanoic acid
CID 122018200
3-[[4-(2-phenylpyrrolidine-1-carbonyl)phenyl]carbamoylamino]propanoic acid
CID 122079883

Frequently Asked Questions

What is the IUPAC name of 3-[(2-phenylazetidine-1-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[(2-phenylazetidine-1-carbonyl)amino]propanoic acid (CID 122019325) is 3-[(2-phenylazetidine-1-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[(2-phenylazetidine-1-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[(2-phenylazetidine-1-carbonyl)amino]propanoic acid is O=C(O)CCNC(=O)N1CCC1c1ccccc1.
What is the InChIKey of 3-[(2-phenylazetidine-1-carbonyl)amino]propanoic acid?
The InChIKey is VVLYRNBXTHWZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c16-12(17)6-8-14-13(18)15-9-7-11(15)10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,14,18)(H,16,17).
What are the key properties of 3-[(2-phenylazetidine-1-carbonyl)amino]propanoic acid?
3-[(2-phenylazetidine-1-carbonyl)amino]propanoic acid has a molecular weight of 248.28 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-phenylazetidine-1-carbonyl)amino]propanoic acid is sourced from PubChem (CID 122019325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).