1-[(2R,4R)-4-amino-1-methylpyrrolidin-2-yl]ethanone

C7H14N2O — CID 70192630

IUPAC1-[(2R,4R)-4-amino-1-methylpyrrolidin-2-yl]ethanone
SMILESCC(=O)[C@H]1C[C@@H](N)CN1C
InChIInChI=1S/C7H14N2O/c1-5(10)7-3-6(8)4-9(7)2/h6-7H,3-4,8H2,1-2H3/t6-,7-/m1/s1
InChIKeySMQDBPCEYJSYEL-RNFRBKRXSA-N
MW142.20 g/mol
LogP-0.39
Rot. Bonds1

About 1-[(2R,4R)-4-amino-1-methylpyrrolidin-2-yl]ethanone

1-[(2R,4R)-4-amino-1-methylpyrrolidin-2-yl]ethanone (PubChem CID 70192630) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 1-[(2R,4R)-4-amino-1-methylpyrrolidin-2-yl]ethanone.

Molecular Properties

Compound Name1-[(2R,4R)-4-amino-1-methylpyrrolidin-2-yl]ethanone
PubChem CID70192630
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name1-[(2R,4R)-4-amino-1-methylpyrrolidin-2-yl]ethanone
SMILESCC(=O)[C@H]1C[C@@H](N)CN1C
InChIInChI=1S/C7H14N2O/c1-5(10)7-3-6(8)4-9(7)2/h6-7H,3-4,8H2,1-2H3/t6-,7-/m1/s1
InChIKeySMQDBPCEYJSYEL-RNFRBKRXSA-N
XLogP-0.39
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(2R,4R)-4-amino-1-methylpyrrolidin-2-yl]ethanone 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 1-[(2R,4R)-4-amino-1-methylpyrrolidin-2-yl]ethanone?
The IUPAC name of 1-[(2R,4R)-4-amino-1-methylpyrrolidin-2-yl]ethanone (CID 70192630) is 1-[(2R,4R)-4-amino-1-methylpyrrolidin-2-yl]ethanone.
What is the SMILES notation for 1-[(2R,4R)-4-amino-1-methylpyrrolidin-2-yl]ethanone?
The canonical SMILES for 1-[(2R,4R)-4-amino-1-methylpyrrolidin-2-yl]ethanone is CC(=O)[C@H]1C[C@@H](N)CN1C.
What is the InChIKey of 1-[(2R,4R)-4-amino-1-methylpyrrolidin-2-yl]ethanone?
The InChIKey is SMQDBPCEYJSYEL-RNFRBKRXSA-N. The full InChI is InChI=1S/C7H14N2O/c1-5(10)7-3-6(8)4-9(7)2/h6-7H,3-4,8H2,1-2H3/t6-,7-/m1/s1.
What are the key properties of 1-[(2R,4R)-4-amino-1-methylpyrrolidin-2-yl]ethanone?
1-[(2R,4R)-4-amino-1-methylpyrrolidin-2-yl]ethanone has a molecular weight of 142.20 g/mol, XLogP of -0.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,4R)-4-amino-1-methylpyrrolidin-2-yl]ethanone is sourced from PubChem (CID 70192630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).