(3R)-3-(3-aminopyrrolidin-1-yl)butan-1-ol

C8H18N2O — CID 166734928

IUPAC(3R)-3-(3-aminopyrrolidin-1-yl)butan-1-ol
SMILESC[C@H](CCO)N1CCC(N)C1
InChIInChI=1S/C8H18N2O/c1-7(3-5-11)10-4-2-8(9)6-10/h7-8,11H,2-6,9H2,1H3/t7-,8?/m1/s1
InChIKeyMCPKHWIIXHLPKW-GVHYBUMESA-N
MW158.24 g/mol
LogP-0.21
Rot. Bonds3

About (3R)-3-(3-aminopyrrolidin-1-yl)butan-1-ol

(3R)-3-(3-aminopyrrolidin-1-yl)butan-1-ol (PubChem CID 166734928) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is (3R)-3-(3-aminopyrrolidin-1-yl)butan-1-ol.

Molecular Properties

Compound Name(3R)-3-(3-aminopyrrolidin-1-yl)butan-1-ol
PubChem CID166734928
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC Name(3R)-3-(3-aminopyrrolidin-1-yl)butan-1-ol
SMILESC[C@H](CCO)N1CCC(N)C1
InChIInChI=1S/C8H18N2O/c1-7(3-5-11)10-4-2-8(9)6-10/h7-8,11H,2-6,9H2,1H3/t7-,8?/m1/s1
InChIKeyMCPKHWIIXHLPKW-GVHYBUMESA-N
XLogP-0.21
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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)-3-(3-aminopyrrolidin-1-yl)butan-1-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)-3-(3-aminopyrrolidin-1-yl)butan-1-ol?
The IUPAC name of (3R)-3-(3-aminopyrrolidin-1-yl)butan-1-ol (CID 166734928) is (3R)-3-(3-aminopyrrolidin-1-yl)butan-1-ol.
What is the SMILES notation for (3R)-3-(3-aminopyrrolidin-1-yl)butan-1-ol?
The canonical SMILES for (3R)-3-(3-aminopyrrolidin-1-yl)butan-1-ol is C[C@H](CCO)N1CCC(N)C1.
What is the InChIKey of (3R)-3-(3-aminopyrrolidin-1-yl)butan-1-ol?
The InChIKey is MCPKHWIIXHLPKW-GVHYBUMESA-N. The full InChI is InChI=1S/C8H18N2O/c1-7(3-5-11)10-4-2-8(9)6-10/h7-8,11H,2-6,9H2,1H3/t7-,8?/m1/s1.
What are the key properties of (3R)-3-(3-aminopyrrolidin-1-yl)butan-1-ol?
(3R)-3-(3-aminopyrrolidin-1-yl)butan-1-ol has a molecular weight of 158.24 g/mol, XLogP of -0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(3-aminopyrrolidin-1-yl)butan-1-ol is sourced from PubChem (CID 166734928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).