(3R,4R)-4-amino-1-methylpyrrolidin-3-ol

C5H12N2O — CID 58396046

IUPAC(3R,4R)-4-amino-1-methylpyrrolidin-3-ol
SMILESCN1C[C@@H](N)[C@H](O)C1
InChIInChI=1S/C5H12N2O/c1-7-2-4(6)5(8)3-7/h4-5,8H,2-3,6H2,1H3/t4-,5-/m1/s1
InChIKeyCIQOTANLSZEILP-RFZPGFLSSA-N
MW116.16 g/mol
LogP-1.38
Rot. Bonds

About (3R,4R)-4-amino-1-methylpyrrolidin-3-ol

(3R,4R)-4-amino-1-methylpyrrolidin-3-ol (PubChem CID 58396046) has the molecular formula C5H12N2O and a molecular weight of 116.16 g/mol. Its IUPAC name is (3R,4R)-4-amino-1-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-amino-1-methylpyrrolidin-3-ol
PubChem CID58396046
Molecular FormulaC5H12N2O
Molecular Weight116.16 g/mol
Exact Mass116.09
IUPAC Name(3R,4R)-4-amino-1-methylpyrrolidin-3-ol
SMILESCN1C[C@@H](N)[C@H](O)C1
InChIInChI=1S/C5H12N2O/c1-7-2-4(6)5(8)3-7/h4-5,8H,2-3,6H2,1H3/t4-,5-/m1/s1
InChIKeyCIQOTANLSZEILP-RFZPGFLSSA-N
XLogP-1.38
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 5-1.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3R,4R)-4-amino-1-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 (3R,4R)-4-amino-1-methylpyrrolidin-3-ol?
The IUPAC name of (3R,4R)-4-amino-1-methylpyrrolidin-3-ol (CID 58396046) is (3R,4R)-4-amino-1-methylpyrrolidin-3-ol.
What is the SMILES notation for (3R,4R)-4-amino-1-methylpyrrolidin-3-ol?
The canonical SMILES for (3R,4R)-4-amino-1-methylpyrrolidin-3-ol is CN1C[C@@H](N)[C@H](O)C1.
What is the InChIKey of (3R,4R)-4-amino-1-methylpyrrolidin-3-ol?
The InChIKey is CIQOTANLSZEILP-RFZPGFLSSA-N. The full InChI is InChI=1S/C5H12N2O/c1-7-2-4(6)5(8)3-7/h4-5,8H,2-3,6H2,1H3/t4-,5-/m1/s1.
What are the key properties of (3R,4R)-4-amino-1-methylpyrrolidin-3-ol?
(3R,4R)-4-amino-1-methylpyrrolidin-3-ol has a molecular weight of 116.16 g/mol, XLogP of -1.38, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-amino-1-methylpyrrolidin-3-ol is sourced from PubChem (CID 58396046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).