3-[[3-(3-phenylpropoxy)azetidine-1-carbonyl]amino]propanoic acid

C16H22N2O4 — CID 122018006

IUPAC3-[[3-(3-phenylpropoxy)azetidine-1-carbonyl]amino]propanoic acid
SMILESO=C(O)CCNC(=O)N1CC(OCCCc2ccccc2)C1
InChIInChI=1S/C16H22N2O4/c19-15(20)8-9-17-16(21)18-11-14(12-18)22-10-4-7-13-5-2-1-3-6-13/h1-3,5-6,14H,4,7-12H2,(H,17,21)(H,19,20)
InChIKeyRWGLCKWTMGBYTF-UHFFFAOYSA-N
MW306.36 g/mol
LogP1.50
Rot. Bonds8

About 3-[[3-(3-phenylpropoxy)azetidine-1-carbonyl]amino]propanoic acid

3-[[3-(3-phenylpropoxy)azetidine-1-carbonyl]amino]propanoic acid (PubChem CID 122018006) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is 3-[[3-(3-phenylpropoxy)azetidine-1-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[3-(3-phenylpropoxy)azetidine-1-carbonyl]amino]propanoic acid
PubChem CID122018006
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Name3-[[3-(3-phenylpropoxy)azetidine-1-carbonyl]amino]propanoic acid
SMILESO=C(O)CCNC(=O)N1CC(OCCCc2ccccc2)C1
InChIInChI=1S/C16H22N2O4/c19-15(20)8-9-17-16(21)18-11-14(12-18)22-10-4-7-13-5-2-1-3-6-13/h1-3,5-6,14H,4,7-12H2,(H,17,21)(H,19,20)
InChIKeyRWGLCKWTMGBYTF-UHFFFAOYSA-N
XLogP1.50
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[[3-(3-phenylpropoxy)azetidine-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

3-[[3-(3-phenoxypropoxy)azetidine-1-carbonyl]amino]propanoic acid
CID 122018551
4-[[[3-(3-phenylpropoxy)pyrrolidine-1-carbonyl]amino]methyl]benzoic acid
CID 122020316
3-(hydroxymethyl)-N-(3-phenylpropyl)azetidine-1-carboxamide
CID 121105872
3-[[2-(3-phenylpropyl)pyrrolidine-1-carbonyl]amino]propanoic acid
CID 122018496
2-(methylamino)-1-[3-(3-phenylpropoxy)pyrrolidin-1-yl]ethanone
CID 119815560
3-(5-phenylpentylcarbamoylamino)propanoic acid
CID 122000469
4-[[3-(2-ethoxyethoxy)azetidine-1-carbonyl]amino]butanoic acid
CID 122022923
N-(3-cyclohexyloxypropyl)-4-(2-phenylethyl)piperazine-1-carboxamide
CID 55473682
2-[3-(3-phenylpropoxy)pyrrolidine-1-carbonyl]cyclobutane-1-carboxylic acid
CID 120977041
1-(3-phenylpropylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63032265
furan-2-yl-[3-(3-phenylpropoxy)pyrrolidin-1-yl]methanone
CID 71860926
1-(5-phenylpentylcarbamoyl)piperidine-4-carboxylic acid
CID 122000468

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(3-phenylpropoxy)azetidine-1-carbonyl]amino]propanoic acid?
The IUPAC name of 3-[[3-(3-phenylpropoxy)azetidine-1-carbonyl]amino]propanoic acid (CID 122018006) is 3-[[3-(3-phenylpropoxy)azetidine-1-carbonyl]amino]propanoic acid.
What is the SMILES notation for 3-[[3-(3-phenylpropoxy)azetidine-1-carbonyl]amino]propanoic acid?
The canonical SMILES for 3-[[3-(3-phenylpropoxy)azetidine-1-carbonyl]amino]propanoic acid is O=C(O)CCNC(=O)N1CC(OCCCc2ccccc2)C1.
What is the InChIKey of 3-[[3-(3-phenylpropoxy)azetidine-1-carbonyl]amino]propanoic acid?
The InChIKey is RWGLCKWTMGBYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c19-15(20)8-9-17-16(21)18-11-14(12-18)22-10-4-7-13-5-2-1-3-6-13/h1-3,5-6,14H,4,7-12H2,(H,17,21)(H,19,20).
What are the key properties of 3-[[3-(3-phenylpropoxy)azetidine-1-carbonyl]amino]propanoic acid?
3-[[3-(3-phenylpropoxy)azetidine-1-carbonyl]amino]propanoic acid has a molecular weight of 306.36 g/mol, XLogP of 1.50, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(3-phenylpropoxy)azetidine-1-carbonyl]amino]propanoic acid is sourced from PubChem (CID 122018006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).