1-(2,3-dihydro-1-benzofuran-2-ylmethyl)azetidine-3-carboxylic acid

C13H15NO3 — CID 66364000

IUPAC1-(2,3-dihydro-1-benzofuran-2-ylmethyl)azetidine-3-carboxylic acid
SMILESO=C(O)C1CN(CC2Cc3ccccc3O2)C1
InChIInChI=1S/C13H15NO3/c15-13(16)10-6-14(7-10)8-11-5-9-3-1-2-4-12(9)17-11/h1-4,10-11H,5-8H2,(H,15,16)
InChIKeyPKLVKRSPEKCXTR-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.01
Rot. Bonds3

About 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)azetidine-3-carboxylic acid

1-(2,3-dihydro-1-benzofuran-2-ylmethyl)azetidine-3-carboxylic acid (PubChem CID 66364000) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)azetidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-2-ylmethyl)azetidine-3-carboxylic acid
PubChem CID66364000
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name1-(2,3-dihydro-1-benzofuran-2-ylmethyl)azetidine-3-carboxylic acid
SMILESO=C(O)C1CN(CC2Cc3ccccc3O2)C1
InChIInChI=1S/C13H15NO3/c15-13(16)10-6-14(7-10)8-11-5-9-3-1-2-4-12(9)17-11/h1-4,10-11H,5-8H2,(H,15,16)
InChIKeyPKLVKRSPEKCXTR-UHFFFAOYSA-N
XLogP1.01
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)azetidine-3-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-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]azetidine-3-carboxylic acid
CID 66360634
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrole-2-carboxylic acid
CID 62234275
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-one
CID 55052644
4-(2,3-dihydro-1-benzofuran-2-ylmethyl)morpholine-2,6-dione
CID 63777403
cis-(1R,3S)-3-[4-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]piperazine-1-carbonyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 124769915
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrolidin-3-one
CID 62233014
N-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-ylidene]hydroxylamine
CID 66365727
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-ethylazetidin-3-ol
CID 66363634
2-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-2-yl]acetic acid
CID 66364780
1-(2-bromoethyl)-4-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperazine
CID 80675136
1-(2,3-dihydro-1-benzofuran-3-ylmethyl)azetidine-3-carboxylic acid
CID 79230205
1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine-4-carboxylic acid
CID 66365126

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)azetidine-3-carboxylic acid?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)azetidine-3-carboxylic acid (CID 66364000) is 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)azetidine-3-carboxylic acid.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)azetidine-3-carboxylic acid?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)azetidine-3-carboxylic acid is O=C(O)C1CN(CC2Cc3ccccc3O2)C1.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)azetidine-3-carboxylic acid?
The InChIKey is PKLVKRSPEKCXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c15-13(16)10-6-14(7-10)8-11-5-9-3-1-2-4-12(9)17-11/h1-4,10-11H,5-8H2,(H,15,16).
What are the key properties of 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)azetidine-3-carboxylic acid?
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)azetidine-3-carboxylic acid has a molecular weight of 233.27 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)azetidine-3-carboxylic acid is sourced from PubChem (CID 66364000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).