ethane;2-methylazetidine-3-carboxylic acid

C7H15NO2 — CID 144955293

IUPACethane;2-methylazetidine-3-carboxylic acid
SMILESCC.CC1NCC1C(=O)O
InChIInChI=1S/C5H9NO2.C2H6/c1-3-4(2-6-3)5(7)8;1-2/h3-4,6H,2H2,1H3,(H,7,8);1-2H3
InChIKeyGFWDRBAPQVLCLC-UHFFFAOYSA-N
MW145.20 g/mol
LogP0.71
Rot. Bonds1

About ethane;2-methylazetidine-3-carboxylic acid

ethane;2-methylazetidine-3-carboxylic acid (PubChem CID 144955293) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is ethane;2-methylazetidine-3-carboxylic acid.

Molecular Properties

Compound Nameethane;2-methylazetidine-3-carboxylic acid
PubChem CID144955293
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Nameethane;2-methylazetidine-3-carboxylic acid
SMILESCC.CC1NCC1C(=O)O
InChIInChI=1S/C5H9NO2.C2H6/c1-3-4(2-6-3)5(7)8;1-2/h3-4,6H,2H2,1H3,(H,7,8);1-2H3
InChIKeyGFWDRBAPQVLCLC-UHFFFAOYSA-N
XLogP0.71
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze ethane;2-methylazetidine-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

Frequently Asked Questions

What is the IUPAC name of ethane;2-methylazetidine-3-carboxylic acid?
The IUPAC name of ethane;2-methylazetidine-3-carboxylic acid (CID 144955293) is ethane;2-methylazetidine-3-carboxylic acid.
What is the SMILES notation for ethane;2-methylazetidine-3-carboxylic acid?
The canonical SMILES for ethane;2-methylazetidine-3-carboxylic acid is CC.CC1NCC1C(=O)O.
What is the InChIKey of ethane;2-methylazetidine-3-carboxylic acid?
The InChIKey is GFWDRBAPQVLCLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2.C2H6/c1-3-4(2-6-3)5(7)8;1-2/h3-4,6H,2H2,1H3,(H,7,8);1-2H3.
What are the key properties of ethane;2-methylazetidine-3-carboxylic acid?
ethane;2-methylazetidine-3-carboxylic acid has a molecular weight of 145.20 g/mol, XLogP of 0.71, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methylazetidine-3-carboxylic acid is sourced from PubChem (CID 144955293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).