6-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-4-methylhexan-1-one

C11H22N2O2 — CID 107217188

IUPAC6-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-4-methylhexan-1-one
SMILESCC(CCN)CCC(=O)N1CC[C@@H](O)C1
InChIInChI=1S/C11H22N2O2/c1-9(4-6-12)2-3-11(15)13-7-5-10(14)8-13/h9-10,14H,2-8,12H2,1H3/t9?,10-/m1/s1
InChIKeyXNWXIZITDAJAFT-QVDQXJPCSA-N
MW214.31 g/mol
LogP0.34
Rot. Bonds5

About 6-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-4-methylhexan-1-one

6-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-4-methylhexan-1-one (PubChem CID 107217188) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 6-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-4-methylhexan-1-one.

Molecular Properties

Compound Name6-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-4-methylhexan-1-one
PubChem CID107217188
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name6-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-4-methylhexan-1-one
SMILESCC(CCN)CCC(=O)N1CC[C@@H](O)C1
InChIInChI=1S/C11H22N2O2/c1-9(4-6-12)2-3-11(15)13-7-5-10(14)8-13/h9-10,14H,2-8,12H2,1H3/t9?,10-/m1/s1
InChIKeyXNWXIZITDAJAFT-QVDQXJPCSA-N
XLogP0.34
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-4-methylhexan-1-one 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 6-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-4-methylhexan-1-one?
The IUPAC name of 6-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-4-methylhexan-1-one (CID 107217188) is 6-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-4-methylhexan-1-one.
What is the SMILES notation for 6-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-4-methylhexan-1-one?
The canonical SMILES for 6-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-4-methylhexan-1-one is CC(CCN)CCC(=O)N1CC[C@@H](O)C1.
What is the InChIKey of 6-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-4-methylhexan-1-one?
The InChIKey is XNWXIZITDAJAFT-QVDQXJPCSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-9(4-6-12)2-3-11(15)13-7-5-10(14)8-13/h9-10,14H,2-8,12H2,1H3/t9?,10-/m1/s1.
What are the key properties of 6-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-4-methylhexan-1-one?
6-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-4-methylhexan-1-one has a molecular weight of 214.31 g/mol, XLogP of 0.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-4-methylhexan-1-one is sourced from PubChem (CID 107217188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).