2-[(3R)-3-aminopyrrolidin-1-yl]-1,2-dimethylcyclopentan-1-ol

C11H22N2O — CID 130655297

IUPAC2-[(3R)-3-aminopyrrolidin-1-yl]-1,2-dimethylcyclopentan-1-ol
SMILESCC1(O)CCCC1(C)N1CC[C@@H](N)C1
InChIInChI=1S/C11H22N2O/c1-10(5-3-6-11(10,2)14)13-7-4-9(12)8-13/h9,14H,3-8,12H2,1-2H3/t9-,10?,11?/m1/s1
InChIKeyNDZNECGFTUPYIC-KPPDAEKUSA-N
MW198.31 g/mol
LogP0.71
Rot. Bonds1

About 2-[(3R)-3-aminopyrrolidin-1-yl]-1,2-dimethylcyclopentan-1-ol

2-[(3R)-3-aminopyrrolidin-1-yl]-1,2-dimethylcyclopentan-1-ol (PubChem CID 130655297) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-[(3R)-3-aminopyrrolidin-1-yl]-1,2-dimethylcyclopentan-1-ol.

Molecular Properties

Compound Name2-[(3R)-3-aminopyrrolidin-1-yl]-1,2-dimethylcyclopentan-1-ol
PubChem CID130655297
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name2-[(3R)-3-aminopyrrolidin-1-yl]-1,2-dimethylcyclopentan-1-ol
SMILESCC1(O)CCCC1(C)N1CC[C@@H](N)C1
InChIInChI=1S/C11H22N2O/c1-10(5-3-6-11(10,2)14)13-7-4-9(12)8-13/h9,14H,3-8,12H2,1-2H3/t9-,10?,11?/m1/s1
InChIKeyNDZNECGFTUPYIC-KPPDAEKUSA-N
XLogP0.71
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-aminopyrrolidin-1-yl]-1,2-dimethylcyclopentan-1-ol?
The IUPAC name of 2-[(3R)-3-aminopyrrolidin-1-yl]-1,2-dimethylcyclopentan-1-ol (CID 130655297) is 2-[(3R)-3-aminopyrrolidin-1-yl]-1,2-dimethylcyclopentan-1-ol.
What is the SMILES notation for 2-[(3R)-3-aminopyrrolidin-1-yl]-1,2-dimethylcyclopentan-1-ol?
The canonical SMILES for 2-[(3R)-3-aminopyrrolidin-1-yl]-1,2-dimethylcyclopentan-1-ol is CC1(O)CCCC1(C)N1CC[C@@H](N)C1.
What is the InChIKey of 2-[(3R)-3-aminopyrrolidin-1-yl]-1,2-dimethylcyclopentan-1-ol?
The InChIKey is NDZNECGFTUPYIC-KPPDAEKUSA-N. The full InChI is InChI=1S/C11H22N2O/c1-10(5-3-6-11(10,2)14)13-7-4-9(12)8-13/h9,14H,3-8,12H2,1-2H3/t9-,10?,11?/m1/s1.
What are the key properties of 2-[(3R)-3-aminopyrrolidin-1-yl]-1,2-dimethylcyclopentan-1-ol?
2-[(3R)-3-aminopyrrolidin-1-yl]-1,2-dimethylcyclopentan-1-ol has a molecular weight of 198.31 g/mol, XLogP of 0.71, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-aminopyrrolidin-1-yl]-1,2-dimethylcyclopentan-1-ol is sourced from PubChem (CID 130655297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).