[(3S)-3-amino-1-propan-2-ylpyrrolidin-3-yl]methanol

C8H18N2O — CID 94058247

IUPAC[(3S)-3-amino-1-propan-2-ylpyrrolidin-3-yl]methanol
SMILESCC(C)N1CC[C@@](N)(CO)C1
InChIInChI=1S/C8H18N2O/c1-7(2)10-4-3-8(9,5-10)6-11/h7,11H,3-6,9H2,1-2H3/t8-/m0/s1
InChIKeyJMBXFZLCQOMDIM-QMMMGPOBSA-N
MW158.24 g/mol
LogP-0.21
Rot. Bonds2

About [(3S)-3-amino-1-propan-2-ylpyrrolidin-3-yl]methanol

[(3S)-3-amino-1-propan-2-ylpyrrolidin-3-yl]methanol (PubChem CID 94058247) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is [(3S)-3-amino-1-propan-2-ylpyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-3-amino-1-propan-2-ylpyrrolidin-3-yl]methanol
PubChem CID94058247
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC Name[(3S)-3-amino-1-propan-2-ylpyrrolidin-3-yl]methanol
SMILESCC(C)N1CC[C@@](N)(CO)C1
InChIInChI=1S/C8H18N2O/c1-7(2)10-4-3-8(9,5-10)6-11/h7,11H,3-6,9H2,1-2H3/t8-/m0/s1
InChIKeyJMBXFZLCQOMDIM-QMMMGPOBSA-N
XLogP-0.21
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [(3S)-3-amino-1-propan-2-ylpyrrolidin-3-yl]methanol 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)-3-amino-1-propan-2-ylpyrrolidin-3-yl]methanol?
The IUPAC name of [(3S)-3-amino-1-propan-2-ylpyrrolidin-3-yl]methanol (CID 94058247) is [(3S)-3-amino-1-propan-2-ylpyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3S)-3-amino-1-propan-2-ylpyrrolidin-3-yl]methanol?
The canonical SMILES for [(3S)-3-amino-1-propan-2-ylpyrrolidin-3-yl]methanol is CC(C)N1CC[C@@](N)(CO)C1.
What is the InChIKey of [(3S)-3-amino-1-propan-2-ylpyrrolidin-3-yl]methanol?
The InChIKey is JMBXFZLCQOMDIM-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H18N2O/c1-7(2)10-4-3-8(9,5-10)6-11/h7,11H,3-6,9H2,1-2H3/t8-/m0/s1.
What are the key properties of [(3S)-3-amino-1-propan-2-ylpyrrolidin-3-yl]methanol?
[(3S)-3-amino-1-propan-2-ylpyrrolidin-3-yl]methanol has a molecular weight of 158.24 g/mol, XLogP of -0.21, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-amino-1-propan-2-ylpyrrolidin-3-yl]methanol is sourced from PubChem (CID 94058247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).