3-[(2S)-2-hydroxy-3,3-dimethylbutyl]pyrrolidine-1-carboxylic acid

C11H21NO3 — CID 70036750

IUPAC3-[(2S)-2-hydroxy-3,3-dimethylbutyl]pyrrolidine-1-carboxylic acid
SMILESCC(C)(C)[C@@H](O)CC1CCN(C(=O)O)C1
InChIInChI=1S/C11H21NO3/c1-11(2,3)9(13)6-8-4-5-12(7-8)10(14)15/h8-9,13H,4-7H2,1-3H3,(H,14,15)/t8?,9-/m0/s1
InChIKeyXAXODEYJACGTON-GKAPJAKFSA-N
MW215.29 g/mol
LogP1.78
Rot. Bonds2

About 3-[(2S)-2-hydroxy-3,3-dimethylbutyl]pyrrolidine-1-carboxylic acid

3-[(2S)-2-hydroxy-3,3-dimethylbutyl]pyrrolidine-1-carboxylic acid (PubChem CID 70036750) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 3-[(2S)-2-hydroxy-3,3-dimethylbutyl]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name3-[(2S)-2-hydroxy-3,3-dimethylbutyl]pyrrolidine-1-carboxylic acid
PubChem CID70036750
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name3-[(2S)-2-hydroxy-3,3-dimethylbutyl]pyrrolidine-1-carboxylic acid
SMILESCC(C)(C)[C@@H](O)CC1CCN(C(=O)O)C1
InChIInChI=1S/C11H21NO3/c1-11(2,3)9(13)6-8-4-5-12(7-8)10(14)15/h8-9,13H,4-7H2,1-3H3,(H,14,15)/t8?,9-/m0/s1
InChIKeyXAXODEYJACGTON-GKAPJAKFSA-N
XLogP1.78
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[(2S)-2-hydroxy-3,3-dimethylbutyl]pyrrolidine-1-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 3-[(2S)-2-hydroxy-3,3-dimethylbutyl]pyrrolidine-1-carboxylic acid?
The IUPAC name of 3-[(2S)-2-hydroxy-3,3-dimethylbutyl]pyrrolidine-1-carboxylic acid (CID 70036750) is 3-[(2S)-2-hydroxy-3,3-dimethylbutyl]pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 3-[(2S)-2-hydroxy-3,3-dimethylbutyl]pyrrolidine-1-carboxylic acid?
The canonical SMILES for 3-[(2S)-2-hydroxy-3,3-dimethylbutyl]pyrrolidine-1-carboxylic acid is CC(C)(C)[C@@H](O)CC1CCN(C(=O)O)C1.
What is the InChIKey of 3-[(2S)-2-hydroxy-3,3-dimethylbutyl]pyrrolidine-1-carboxylic acid?
The InChIKey is XAXODEYJACGTON-GKAPJAKFSA-N. The full InChI is InChI=1S/C11H21NO3/c1-11(2,3)9(13)6-8-4-5-12(7-8)10(14)15/h8-9,13H,4-7H2,1-3H3,(H,14,15)/t8?,9-/m0/s1.
What are the key properties of 3-[(2S)-2-hydroxy-3,3-dimethylbutyl]pyrrolidine-1-carboxylic acid?
3-[(2S)-2-hydroxy-3,3-dimethylbutyl]pyrrolidine-1-carboxylic acid has a molecular weight of 215.29 g/mol, XLogP of 1.78, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-2-hydroxy-3,3-dimethylbutyl]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 70036750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).