(3S)-1-(2,2-dimethylpropyl)-3-hydroxypyrrolidin-2-one

C9H17NO2 — CID 58474595

IUPAC(3S)-1-(2,2-dimethylpropyl)-3-hydroxypyrrolidin-2-one
SMILESCC(C)(C)CN1CC[C@H](O)C1=O
InChIInChI=1S/C9H17NO2/c1-9(2,3)6-10-5-4-7(11)8(10)12/h7,11H,4-6H2,1-3H3/t7-/m0/s1
InChIKeyBCACHKQEVYQBRH-ZETCQYMHSA-N
MW171.24 g/mol
LogP0.63
Rot. Bonds1

About (3S)-1-(2,2-dimethylpropyl)-3-hydroxypyrrolidin-2-one

(3S)-1-(2,2-dimethylpropyl)-3-hydroxypyrrolidin-2-one (PubChem CID 58474595) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is (3S)-1-(2,2-dimethylpropyl)-3-hydroxypyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-1-(2,2-dimethylpropyl)-3-hydroxypyrrolidin-2-one
PubChem CID58474595
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name(3S)-1-(2,2-dimethylpropyl)-3-hydroxypyrrolidin-2-one
SMILESCC(C)(C)CN1CC[C@H](O)C1=O
InChIInChI=1S/C9H17NO2/c1-9(2,3)6-10-5-4-7(11)8(10)12/h7,11H,4-6H2,1-3H3/t7-/m0/s1
InChIKeyBCACHKQEVYQBRH-ZETCQYMHSA-N
XLogP0.63
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3S)-1-(2,2-dimethylpropyl)-3-hydroxypyrrolidin-2-one 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 (3S)-1-(2,2-dimethylpropyl)-3-hydroxypyrrolidin-2-one?
The IUPAC name of (3S)-1-(2,2-dimethylpropyl)-3-hydroxypyrrolidin-2-one (CID 58474595) is (3S)-1-(2,2-dimethylpropyl)-3-hydroxypyrrolidin-2-one.
What is the SMILES notation for (3S)-1-(2,2-dimethylpropyl)-3-hydroxypyrrolidin-2-one?
The canonical SMILES for (3S)-1-(2,2-dimethylpropyl)-3-hydroxypyrrolidin-2-one is CC(C)(C)CN1CC[C@H](O)C1=O.
What is the InChIKey of (3S)-1-(2,2-dimethylpropyl)-3-hydroxypyrrolidin-2-one?
The InChIKey is BCACHKQEVYQBRH-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H17NO2/c1-9(2,3)6-10-5-4-7(11)8(10)12/h7,11H,4-6H2,1-3H3/t7-/m0/s1.
What are the key properties of (3S)-1-(2,2-dimethylpropyl)-3-hydroxypyrrolidin-2-one?
(3S)-1-(2,2-dimethylpropyl)-3-hydroxypyrrolidin-2-one has a molecular weight of 171.24 g/mol, XLogP of 0.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2,2-dimethylpropyl)-3-hydroxypyrrolidin-2-one is sourced from PubChem (CID 58474595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).