(2S,3S)-2-ethyl-3-methylpyrrolidin-3-ol

C7H15NO — CID 59273072

IUPAC(2S,3S)-2-ethyl-3-methylpyrrolidin-3-ol
SMILESCC[C@@H]1NCC[C@]1(C)O
InChIInChI=1S/C7H15NO/c1-3-6-7(2,9)4-5-8-6/h6,8-9H,3-5H2,1-2H3/t6-,7-/m0/s1
InChIKeyCTTLJOMQQIDRAO-BQBZGAKWSA-N
MW129.20 g/mol
LogP0.51
Rot. Bonds1

About (2S,3S)-2-ethyl-3-methylpyrrolidin-3-ol

(2S,3S)-2-ethyl-3-methylpyrrolidin-3-ol (PubChem CID 59273072) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is (2S,3S)-2-ethyl-3-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name(2S,3S)-2-ethyl-3-methylpyrrolidin-3-ol
PubChem CID59273072
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name(2S,3S)-2-ethyl-3-methylpyrrolidin-3-ol
SMILESCC[C@@H]1NCC[C@]1(C)O
InChIInChI=1S/C7H15NO/c1-3-6-7(2,9)4-5-8-6/h6,8-9H,3-5H2,1-2H3/t6-,7-/m0/s1
InChIKeyCTTLJOMQQIDRAO-BQBZGAKWSA-N
XLogP0.51
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S,3S)-2-ethyl-3-methylpyrrolidin-3-ol 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 (2S,3S)-2-ethyl-3-methylpyrrolidin-3-ol?
The IUPAC name of (2S,3S)-2-ethyl-3-methylpyrrolidin-3-ol (CID 59273072) is (2S,3S)-2-ethyl-3-methylpyrrolidin-3-ol.
What is the SMILES notation for (2S,3S)-2-ethyl-3-methylpyrrolidin-3-ol?
The canonical SMILES for (2S,3S)-2-ethyl-3-methylpyrrolidin-3-ol is CC[C@@H]1NCC[C@]1(C)O.
What is the InChIKey of (2S,3S)-2-ethyl-3-methylpyrrolidin-3-ol?
The InChIKey is CTTLJOMQQIDRAO-BQBZGAKWSA-N. The full InChI is InChI=1S/C7H15NO/c1-3-6-7(2,9)4-5-8-6/h6,8-9H,3-5H2,1-2H3/t6-,7-/m0/s1.
What are the key properties of (2S,3S)-2-ethyl-3-methylpyrrolidin-3-ol?
(2S,3S)-2-ethyl-3-methylpyrrolidin-3-ol has a molecular weight of 129.20 g/mol, XLogP of 0.51, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-ethyl-3-methylpyrrolidin-3-ol is sourced from PubChem (CID 59273072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).