(3R,4S)-4-amino-1-tert-butylpyrrolidin-3-ol

C8H18N2O — CID 89460487

IUPAC(3R,4S)-4-amino-1-tert-butylpyrrolidin-3-ol
SMILESCC(C)(C)N1C[C@@H](O)[C@@H](N)C1
InChIInChI=1S/C8H18N2O/c1-8(2,3)10-4-6(9)7(11)5-10/h6-7,11H,4-5,9H2,1-3H3/t6-,7+/m0/s1
InChIKeyFVGIORVBCKEHKB-NKWVEPMBSA-N
MW158.24 g/mol
LogP-0.21
Rot. Bonds

About (3R,4S)-4-amino-1-tert-butylpyrrolidin-3-ol

(3R,4S)-4-amino-1-tert-butylpyrrolidin-3-ol (PubChem CID 89460487) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is (3R,4S)-4-amino-1-tert-butylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4S)-4-amino-1-tert-butylpyrrolidin-3-ol
PubChem CID89460487
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC Name(3R,4S)-4-amino-1-tert-butylpyrrolidin-3-ol
SMILESCC(C)(C)N1C[C@@H](O)[C@@H](N)C1
InChIInChI=1S/C8H18N2O/c1-8(2,3)10-4-6(9)7(11)5-10/h6-7,11H,4-5,9H2,1-3H3/t6-,7+/m0/s1
InChIKeyFVGIORVBCKEHKB-NKWVEPMBSA-N
XLogP-0.21
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
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 (3R,4S)-4-amino-1-tert-butylpyrrolidin-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,4S)-4-amino-1-tert-butylpyrrolidin-3-ol?
The IUPAC name of (3R,4S)-4-amino-1-tert-butylpyrrolidin-3-ol (CID 89460487) is (3R,4S)-4-amino-1-tert-butylpyrrolidin-3-ol.
What is the SMILES notation for (3R,4S)-4-amino-1-tert-butylpyrrolidin-3-ol?
The canonical SMILES for (3R,4S)-4-amino-1-tert-butylpyrrolidin-3-ol is CC(C)(C)N1C[C@@H](O)[C@@H](N)C1.
What is the InChIKey of (3R,4S)-4-amino-1-tert-butylpyrrolidin-3-ol?
The InChIKey is FVGIORVBCKEHKB-NKWVEPMBSA-N. The full InChI is InChI=1S/C8H18N2O/c1-8(2,3)10-4-6(9)7(11)5-10/h6-7,11H,4-5,9H2,1-3H3/t6-,7+/m0/s1.
What are the key properties of (3R,4S)-4-amino-1-tert-butylpyrrolidin-3-ol?
(3R,4S)-4-amino-1-tert-butylpyrrolidin-3-ol has a molecular weight of 158.24 g/mol, XLogP of -0.21, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-amino-1-tert-butylpyrrolidin-3-ol is sourced from PubChem (CID 89460487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).