4-[(2-phenylazetidine-1-carbonyl)amino]butanoic acid

C14H18N2O3 — CID 122021569

IUPAC4-[(2-phenylazetidine-1-carbonyl)amino]butanoic acid
SMILESO=C(O)CCCNC(=O)N1CCC1c1ccccc1
InChIInChI=1S/C14H18N2O3/c17-13(18)7-4-9-15-14(19)16-10-8-12(16)11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H,15,19)(H,17,18)
InChIKeyDSHLEHQCECNMBF-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.01
Rot. Bonds5

About 4-[(2-phenylazetidine-1-carbonyl)amino]butanoic acid

4-[(2-phenylazetidine-1-carbonyl)amino]butanoic acid (PubChem CID 122021569) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 4-[(2-phenylazetidine-1-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[(2-phenylazetidine-1-carbonyl)amino]butanoic acid
PubChem CID122021569
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name4-[(2-phenylazetidine-1-carbonyl)amino]butanoic acid
SMILESO=C(O)CCCNC(=O)N1CCC1c1ccccc1
InChIInChI=1S/C14H18N2O3/c17-13(18)7-4-9-15-14(19)16-10-8-12(16)11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H,15,19)(H,17,18)
InChIKeyDSHLEHQCECNMBF-UHFFFAOYSA-N
XLogP2.01
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-phenylazetidine-1-carbonyl)amino]propanoic acid
CID 122019325
4-[(5-oxo-7-phenyl-1,4-diazepane-1-carbonyl)amino]butanoic acid
CID 122023249
4-[(3-phenyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)amino]butanoic acid
CID 122022103
4-[[2-(4-methylphenyl)pyrrolidine-1-carbonyl]amino]butanoic acid
CID 122021682
4-[[2-(3-bromophenyl)pyrrolidine-1-carbonyl]amino]butanoic acid
CID 122021512
4-[(4-phenylpiperidine-1-carbonyl)amino]butanoic acid
CID 122021606
4-[[2-(3-methylphenyl)azepane-1-carbonyl]amino]butanoic acid
CID 122023212
4-[(2-naphthalen-1-ylpyrrolidine-1-carbonyl)amino]butanoic acid
CID 122021478
3-[[2-(4-fluorophenyl)pyrrolidine-1-carbonyl]amino]propanoic acid
CID 122019438
(2R)-N-(5-morpholin-4-ylpentyl)-2-phenylpyrrolidine-1-carboxamide
CID 126450255
4-[(3-phenyl-2-azaspiro[3.5]nonane-2-carbonyl)amino]butanoic acid
CID 122021796
4-[(2,3-dimethylpyrrolidine-1-carbonyl)amino]butanoic acid
CID 122022322

Frequently Asked Questions

What is the IUPAC name of 4-[(2-phenylazetidine-1-carbonyl)amino]butanoic acid?
The IUPAC name of 4-[(2-phenylazetidine-1-carbonyl)amino]butanoic acid (CID 122021569) is 4-[(2-phenylazetidine-1-carbonyl)amino]butanoic acid.
What is the SMILES notation for 4-[(2-phenylazetidine-1-carbonyl)amino]butanoic acid?
The canonical SMILES for 4-[(2-phenylazetidine-1-carbonyl)amino]butanoic acid is O=C(O)CCCNC(=O)N1CCC1c1ccccc1.
What is the InChIKey of 4-[(2-phenylazetidine-1-carbonyl)amino]butanoic acid?
The InChIKey is DSHLEHQCECNMBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c17-13(18)7-4-9-15-14(19)16-10-8-12(16)11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H,15,19)(H,17,18).
What are the key properties of 4-[(2-phenylazetidine-1-carbonyl)amino]butanoic acid?
4-[(2-phenylazetidine-1-carbonyl)amino]butanoic acid has a molecular weight of 262.31 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-phenylazetidine-1-carbonyl)amino]butanoic acid is sourced from PubChem (CID 122021569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).