1-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-2-propan-2-yloxyethanone

C12H22N2O2 — CID 72885173

IUPAC1-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-2-propan-2-yloxyethanone
SMILESCC(C)OCC(=O)N1C[C@H](C2CC2)[C@@H](N)C1
InChIInChI=1S/C12H22N2O2/c1-8(2)16-7-12(15)14-5-10(9-3-4-9)11(13)6-14/h8-11H,3-7,13H2,1-2H3/t10-,11+/m1/s1
InChIKeyOAGALIYHPQZGTR-MNOVXSKESA-N
MW226.32 g/mol
LogP0.61
Rot. Bonds4

About 1-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-2-propan-2-yloxyethanone

1-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-2-propan-2-yloxyethanone (PubChem CID 72885173) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-2-propan-2-yloxyethanone.

Molecular Properties

Compound Name1-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-2-propan-2-yloxyethanone
PubChem CID72885173
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name1-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-2-propan-2-yloxyethanone
SMILESCC(C)OCC(=O)N1C[C@H](C2CC2)[C@@H](N)C1
InChIInChI=1S/C12H22N2O2/c1-8(2)16-7-12(15)14-5-10(9-3-4-9)11(13)6-14/h8-11H,3-7,13H2,1-2H3/t10-,11+/m1/s1
InChIKeyOAGALIYHPQZGTR-MNOVXSKESA-N
XLogP0.61
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-2-propan-2-yloxyethanone 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-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-2-propan-2-yloxyethanone?
The IUPAC name of 1-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-2-propan-2-yloxyethanone (CID 72885173) is 1-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-2-propan-2-yloxyethanone.
What is the SMILES notation for 1-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-2-propan-2-yloxyethanone?
The canonical SMILES for 1-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-2-propan-2-yloxyethanone is CC(C)OCC(=O)N1C[C@H](C2CC2)[C@@H](N)C1.
What is the InChIKey of 1-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-2-propan-2-yloxyethanone?
The InChIKey is OAGALIYHPQZGTR-MNOVXSKESA-N. The full InChI is InChI=1S/C12H22N2O2/c1-8(2)16-7-12(15)14-5-10(9-3-4-9)11(13)6-14/h8-11H,3-7,13H2,1-2H3/t10-,11+/m1/s1.
What are the key properties of 1-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-2-propan-2-yloxyethanone?
1-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-2-propan-2-yloxyethanone has a molecular weight of 226.32 g/mol, XLogP of 0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-2-propan-2-yloxyethanone is sourced from PubChem (CID 72885173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).