[(1R,3S)-3-amino-2,2-dimethylcyclobutyl]-pyrrolidin-1-ylmethanone

C11H20N2O — CID 58110992

IUPAC[(1R,3S)-3-amino-2,2-dimethylcyclobutyl]-pyrrolidin-1-ylmethanone
SMILESCC1(C)[C@@H](N)C[C@H]1C(=O)N1CCCC1
InChIInChI=1S/C11H20N2O/c1-11(2)8(7-9(11)12)10(14)13-5-3-4-6-13/h8-9H,3-7,12H2,1-2H3/t8-,9-/m0/s1
InChIKeyDZJQPNJWPSNEPM-IUCAKERBSA-N
MW196.29 g/mol
LogP0.98
Rot. Bonds1

About [(1R,3S)-3-amino-2,2-dimethylcyclobutyl]-pyrrolidin-1-ylmethanone

[(1R,3S)-3-amino-2,2-dimethylcyclobutyl]-pyrrolidin-1-ylmethanone (PubChem CID 58110992) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is [(1R,3S)-3-amino-2,2-dimethylcyclobutyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[(1R,3S)-3-amino-2,2-dimethylcyclobutyl]-pyrrolidin-1-ylmethanone
PubChem CID58110992
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name[(1R,3S)-3-amino-2,2-dimethylcyclobutyl]-pyrrolidin-1-ylmethanone
SMILESCC1(C)[C@@H](N)C[C@H]1C(=O)N1CCCC1
InChIInChI=1S/C11H20N2O/c1-11(2)8(7-9(11)12)10(14)13-5-3-4-6-13/h8-9H,3-7,12H2,1-2H3/t8-,9-/m0/s1
InChIKeyDZJQPNJWPSNEPM-IUCAKERBSA-N
XLogP0.98
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1R,3S)-3-amino-2,2-dimethylcyclobutyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [(1R,3S)-3-amino-2,2-dimethylcyclobutyl]-pyrrolidin-1-ylmethanone (CID 58110992) is [(1R,3S)-3-amino-2,2-dimethylcyclobutyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [(1R,3S)-3-amino-2,2-dimethylcyclobutyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [(1R,3S)-3-amino-2,2-dimethylcyclobutyl]-pyrrolidin-1-ylmethanone is CC1(C)[C@@H](N)C[C@H]1C(=O)N1CCCC1.
What is the InChIKey of [(1R,3S)-3-amino-2,2-dimethylcyclobutyl]-pyrrolidin-1-ylmethanone?
The InChIKey is DZJQPNJWPSNEPM-IUCAKERBSA-N. The full InChI is InChI=1S/C11H20N2O/c1-11(2)8(7-9(11)12)10(14)13-5-3-4-6-13/h8-9H,3-7,12H2,1-2H3/t8-,9-/m0/s1.
What are the key properties of [(1R,3S)-3-amino-2,2-dimethylcyclobutyl]-pyrrolidin-1-ylmethanone?
[(1R,3S)-3-amino-2,2-dimethylcyclobutyl]-pyrrolidin-1-ylmethanone has a molecular weight of 196.29 g/mol, XLogP of 0.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3S)-3-amino-2,2-dimethylcyclobutyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 58110992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).