4-[[3-(4-cyanophenoxy)azetidine-1-carbonyl]amino]butanoic acid

C15H17N3O4 — CID 122022820

IUPAC4-[[3-(4-cyanophenoxy)azetidine-1-carbonyl]amino]butanoic acid
SMILESN#Cc1ccc(OC2CN(C(=O)NCCCC(=O)O)C2)cc1
InChIInChI=1S/C15H17N3O4/c16-8-11-3-5-12(6-4-11)22-13-9-18(10-13)15(21)17-7-1-2-14(19)20/h3-6,13H,1-2,7,9-10H2,(H,17,21)(H,19,20)
InChIKeyZFRRELSNGOQBLP-UHFFFAOYSA-N
MW303.32 g/mol
LogP1.20
Rot. Bonds6

About 4-[[3-(4-cyanophenoxy)azetidine-1-carbonyl]amino]butanoic acid

4-[[3-(4-cyanophenoxy)azetidine-1-carbonyl]amino]butanoic acid (PubChem CID 122022820) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is 4-[[3-(4-cyanophenoxy)azetidine-1-carbonyl]amino]butanoic acid.

Molecular Properties

Compound Name4-[[3-(4-cyanophenoxy)azetidine-1-carbonyl]amino]butanoic acid
PubChem CID122022820
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC Name4-[[3-(4-cyanophenoxy)azetidine-1-carbonyl]amino]butanoic acid
SMILESN#Cc1ccc(OC2CN(C(=O)NCCCC(=O)O)C2)cc1
InChIInChI=1S/C15H17N3O4/c16-8-11-3-5-12(6-4-11)22-13-9-18(10-13)15(21)17-7-1-2-14(19)20/h3-6,13H,1-2,7,9-10H2,(H,17,21)(H,19,20)
InChIKeyZFRRELSNGOQBLP-UHFFFAOYSA-N
XLogP1.20
TPSA102.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[[3-(4-cyanophenoxy)azetidine-1-carbonyl]amino]butanoic 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-[[4-(4-cyanophenoxy)piperidine-1-carbonyl]amino]butanoic acid
CID 122021250
N-butyl-8-[2-(4-cyanophenoxy)ethyl]-3,8-diazabicyclo[3.2.1]octane-3-carboxamide
CID 22235678
6-(4-cyanophenoxy)hexanoic acid
CID 22388922
3-[[3-(3-phenoxypropoxy)azetidine-1-carbonyl]amino]propanoic acid
CID 122018551
(3R)-N-[2-(4-cyanophenoxy)ethyl]-3-methylpyrrolidine-1-carboxamide
CID 97023654
5-(4-cyanophenoxy)pentanoic acid
CID 18767503
4-[1-(2-cyclopent-2-en-1-ylacetyl)azetidin-3-yl]oxybenzonitrile
CID 86792878
6-[(4-cyanophenyl)carbamoylamino]hexanoic acid
CID 16788289
N-benzyl-3-[(5-cyano-2-pyridinyl)oxy]azetidine-1-carboxamide
CID 122248897
4-[1-(1,5-dimethylpyrrole-2-carbonyl)azetidin-3-yl]oxybenzonitrile
CID 86792894
3-(4-cyanophenoxy)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]azetidine-1-carboxamide
CID 86792967
3-(4-cyanophenoxy)-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]azetidine-1-carboxamide
CID 99696787

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(4-cyanophenoxy)azetidine-1-carbonyl]amino]butanoic acid?
The IUPAC name of 4-[[3-(4-cyanophenoxy)azetidine-1-carbonyl]amino]butanoic acid (CID 122022820) is 4-[[3-(4-cyanophenoxy)azetidine-1-carbonyl]amino]butanoic acid.
What is the SMILES notation for 4-[[3-(4-cyanophenoxy)azetidine-1-carbonyl]amino]butanoic acid?
The canonical SMILES for 4-[[3-(4-cyanophenoxy)azetidine-1-carbonyl]amino]butanoic acid is N#Cc1ccc(OC2CN(C(=O)NCCCC(=O)O)C2)cc1.
What is the InChIKey of 4-[[3-(4-cyanophenoxy)azetidine-1-carbonyl]amino]butanoic acid?
The InChIKey is ZFRRELSNGOQBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4/c16-8-11-3-5-12(6-4-11)22-13-9-18(10-13)15(21)17-7-1-2-14(19)20/h3-6,13H,1-2,7,9-10H2,(H,17,21)(H,19,20).
What are the key properties of 4-[[3-(4-cyanophenoxy)azetidine-1-carbonyl]amino]butanoic acid?
4-[[3-(4-cyanophenoxy)azetidine-1-carbonyl]amino]butanoic acid has a molecular weight of 303.32 g/mol, XLogP of 1.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(4-cyanophenoxy)azetidine-1-carbonyl]amino]butanoic acid is sourced from PubChem (CID 122022820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).