4-(3-phenylazetidin-1-yl)oxane-4-carboxylic acid

C15H19NO3 — CID 113280487

IUPAC4-(3-phenylazetidin-1-yl)oxane-4-carboxylic acid
SMILESO=C(O)C1(N2CC(c3ccccc3)C2)CCOCC1
InChIInChI=1S/C15H19NO3/c17-14(18)15(6-8-19-9-7-15)16-10-13(11-16)12-4-2-1-3-5-12/h1-5,13H,6-11H2,(H,17,18)
InChIKeyFOHVLEMLCUBGLL-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.72
Rot. Bonds3

About 4-(3-phenylazetidin-1-yl)oxane-4-carboxylic acid

4-(3-phenylazetidin-1-yl)oxane-4-carboxylic acid (PubChem CID 113280487) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 4-(3-phenylazetidin-1-yl)oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-(3-phenylazetidin-1-yl)oxane-4-carboxylic acid
PubChem CID113280487
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name4-(3-phenylazetidin-1-yl)oxane-4-carboxylic acid
SMILESO=C(O)C1(N2CC(c3ccccc3)C2)CCOCC1
InChIInChI=1S/C15H19NO3/c17-14(18)15(6-8-19-9-7-15)16-10-13(11-16)12-4-2-1-3-5-12/h1-5,13H,6-11H2,(H,17,18)
InChIKeyFOHVLEMLCUBGLL-UHFFFAOYSA-N
XLogP1.72
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(3-phenylazetidin-1-yl)oxane-4-carboxylic 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

1-(7-oxa-2-azaspiro[3.5]nonan-2-yl)cyclopropane-1-carboxylic acid
CID 79694296
3-[(3-phenylpyrrolidin-1-yl)methyl]oxolane-3-carboxylic acid
CID 62272327
[4-(aminomethyl)oxan-4-yl]-(4-phenylpiperidin-1-yl)methanone
CID 120921219
1-(3-phenylpyrrolidine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 62131428
morpholin-4-yl-(4-phenylpiperidin-1-yl)methanone
CID 67308530
[4-(aminomethyl)oxan-4-yl]-(3-ethyl-4-phenylpiperidin-1-yl)methanone;hydrochloride
CID 120936915
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,3-dihydroindene-2-carboxylic acid
CID 56862053
4-(aminomethyl)-N-(3-phenylcyclobutyl)oxane-4-carboxamide;hydrochloride
CID 120931146
[(4R)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-morpholin-4-ylmethanone
CID 97453778
4-(3-phenylazetidin-1-yl)butan-1-ol
CID 106844153
3-(2,3-dihydroindol-1-yl)oxolane-3-carboxylic acid
CID 84795983
1-[3-(oxan-4-yl)phenyl]cyclobutane-1-carboxylic acid
CID 117405075

Frequently Asked Questions

What is the IUPAC name of 4-(3-phenylazetidin-1-yl)oxane-4-carboxylic acid?
The IUPAC name of 4-(3-phenylazetidin-1-yl)oxane-4-carboxylic acid (CID 113280487) is 4-(3-phenylazetidin-1-yl)oxane-4-carboxylic acid.
What is the SMILES notation for 4-(3-phenylazetidin-1-yl)oxane-4-carboxylic acid?
The canonical SMILES for 4-(3-phenylazetidin-1-yl)oxane-4-carboxylic acid is O=C(O)C1(N2CC(c3ccccc3)C2)CCOCC1.
What is the InChIKey of 4-(3-phenylazetidin-1-yl)oxane-4-carboxylic acid?
The InChIKey is FOHVLEMLCUBGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c17-14(18)15(6-8-19-9-7-15)16-10-13(11-16)12-4-2-1-3-5-12/h1-5,13H,6-11H2,(H,17,18).
What are the key properties of 4-(3-phenylazetidin-1-yl)oxane-4-carboxylic acid?
4-(3-phenylazetidin-1-yl)oxane-4-carboxylic acid has a molecular weight of 261.32 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenylazetidin-1-yl)oxane-4-carboxylic acid is sourced from PubChem (CID 113280487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).