[1-(aminomethyl)-3-methylcyclobutyl]-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone

C12H22N2O2 — CID 103355744

IUPAC[1-(aminomethyl)-3-methylcyclobutyl]-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
SMILESCC1CC(CN)(C(=O)N2CCC(C)(O)C2)C1
InChIInChI=1S/C12H22N2O2/c1-9-5-12(6-9,7-13)10(15)14-4-3-11(2,16)8-14/h9,16H,3-8,13H2,1-2H3
InChIKeyBVYYORDRRLLBQH-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.34
Rot. Bonds2

About [1-(aminomethyl)-3-methylcyclobutyl]-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone

[1-(aminomethyl)-3-methylcyclobutyl]-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone (PubChem CID 103355744) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is [1-(aminomethyl)-3-methylcyclobutyl]-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[1-(aminomethyl)-3-methylcyclobutyl]-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
PubChem CID103355744
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name[1-(aminomethyl)-3-methylcyclobutyl]-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
SMILESCC1CC(CN)(C(=O)N2CCC(C)(O)C2)C1
InChIInChI=1S/C12H22N2O2/c1-9-5-12(6-9,7-13)10(15)14-4-3-11(2,16)8-14/h9,16H,3-8,13H2,1-2H3
InChIKeyBVYYORDRRLLBQH-UHFFFAOYSA-N
XLogP0.34
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [1-(aminomethyl)-3-methylcyclobutyl]-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone 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 [1-(aminomethyl)-3-methylcyclobutyl]-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone?
The IUPAC name of [1-(aminomethyl)-3-methylcyclobutyl]-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone (CID 103355744) is [1-(aminomethyl)-3-methylcyclobutyl]-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone.
What is the SMILES notation for [1-(aminomethyl)-3-methylcyclobutyl]-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone?
The canonical SMILES for [1-(aminomethyl)-3-methylcyclobutyl]-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone is CC1CC(CN)(C(=O)N2CCC(C)(O)C2)C1.
What is the InChIKey of [1-(aminomethyl)-3-methylcyclobutyl]-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone?
The InChIKey is BVYYORDRRLLBQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-9-5-12(6-9,7-13)10(15)14-4-3-11(2,16)8-14/h9,16H,3-8,13H2,1-2H3.
What are the key properties of [1-(aminomethyl)-3-methylcyclobutyl]-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone?
[1-(aminomethyl)-3-methylcyclobutyl]-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone has a molecular weight of 226.32 g/mol, XLogP of 0.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)-3-methylcyclobutyl]-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 103355744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).