2-[(3,3-dimethylcyclopentyl)amino]-3-methylbutanoic acid

C12H23NO2 — CID 80704929

IUPAC2-[(3,3-dimethylcyclopentyl)amino]-3-methylbutanoic acid
SMILESCC(C)C(NC1CCC(C)(C)C1)C(=O)O
InChIInChI=1S/C12H23NO2/c1-8(2)10(11(14)15)13-9-5-6-12(3,4)7-9/h8-10,13H,5-7H2,1-4H3,(H,14,15)
InChIKeyVEMQBCVBIQVGDY-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.26
Rot. Bonds4

About 2-[(3,3-dimethylcyclopentyl)amino]-3-methylbutanoic acid

2-[(3,3-dimethylcyclopentyl)amino]-3-methylbutanoic acid (PubChem CID 80704929) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-[(3,3-dimethylcyclopentyl)amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name2-[(3,3-dimethylcyclopentyl)amino]-3-methylbutanoic acid
PubChem CID80704929
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name2-[(3,3-dimethylcyclopentyl)amino]-3-methylbutanoic acid
SMILESCC(C)C(NC1CCC(C)(C)C1)C(=O)O
InChIInChI=1S/C12H23NO2/c1-8(2)10(11(14)15)13-9-5-6-12(3,4)7-9/h8-10,13H,5-7H2,1-4H3,(H,14,15)
InChIKeyVEMQBCVBIQVGDY-UHFFFAOYSA-N
XLogP2.26
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[(3,3-dimethylcyclopentyl)amino]-3-methylbutanoic 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 2-[(3,3-dimethylcyclopentyl)amino]-3-methylbutanoic acid?
The IUPAC name of 2-[(3,3-dimethylcyclopentyl)amino]-3-methylbutanoic acid (CID 80704929) is 2-[(3,3-dimethylcyclopentyl)amino]-3-methylbutanoic acid.
What is the SMILES notation for 2-[(3,3-dimethylcyclopentyl)amino]-3-methylbutanoic acid?
The canonical SMILES for 2-[(3,3-dimethylcyclopentyl)amino]-3-methylbutanoic acid is CC(C)C(NC1CCC(C)(C)C1)C(=O)O.
What is the InChIKey of 2-[(3,3-dimethylcyclopentyl)amino]-3-methylbutanoic acid?
The InChIKey is VEMQBCVBIQVGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-8(2)10(11(14)15)13-9-5-6-12(3,4)7-9/h8-10,13H,5-7H2,1-4H3,(H,14,15).
What are the key properties of 2-[(3,3-dimethylcyclopentyl)amino]-3-methylbutanoic acid?
2-[(3,3-dimethylcyclopentyl)amino]-3-methylbutanoic acid has a molecular weight of 213.32 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,3-dimethylcyclopentyl)amino]-3-methylbutanoic acid is sourced from PubChem (CID 80704929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).