1-(3-amino-2,2-dimethylpyrrolidin-1-yl)-2-methoxyethanone

C9H18N2O2 — CID 131208761

IUPAC1-(3-amino-2,2-dimethylpyrrolidin-1-yl)-2-methoxyethanone
SMILESCOCC(=O)N1CCC(N)C1(C)C
InChIInChI=1S/C9H18N2O2/c1-9(2)7(10)4-5-11(9)8(12)6-13-3/h7H,4-6,10H2,1-3H3
InChIKeyXOUIMIARDQUNAD-UHFFFAOYSA-N
MW186.25 g/mol
LogP-0.03
Rot. Bonds2

About 1-(3-amino-2,2-dimethylpyrrolidin-1-yl)-2-methoxyethanone

1-(3-amino-2,2-dimethylpyrrolidin-1-yl)-2-methoxyethanone (PubChem CID 131208761) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 1-(3-amino-2,2-dimethylpyrrolidin-1-yl)-2-methoxyethanone.

Molecular Properties

Compound Name1-(3-amino-2,2-dimethylpyrrolidin-1-yl)-2-methoxyethanone
PubChem CID131208761
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name1-(3-amino-2,2-dimethylpyrrolidin-1-yl)-2-methoxyethanone
SMILESCOCC(=O)N1CCC(N)C1(C)C
InChIInChI=1S/C9H18N2O2/c1-9(2)7(10)4-5-11(9)8(12)6-13-3/h7H,4-6,10H2,1-3H3
InChIKeyXOUIMIARDQUNAD-UHFFFAOYSA-N
XLogP-0.03
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-amino-2,2-dimethylpyrrolidin-1-yl)-2-methoxyethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-amino-2,2-dimethylpiperidin-1-yl)-3-methylbutan-1-one
CID 115269305
(3-amino-2,2-dimethylpyrrolidin-1-yl)-(2,4,6-trimethylphenyl)methanone
CID 115275240
1-(4-amino-3,3-dimethylpyrrolidin-1-yl)-2-methoxyethanone
CID 131141980
1-(3-amino-2,2-dimethylpyrrolidin-1-yl)-2-(5-bromo-2-methylphenyl)ethanone
CID 115275282
1-(3-amino-2,2-dimethylpyrrolidin-1-yl)-3-pyridin-2-ylpropan-1-one
CID 115275314
1-(2,2-dimethyl-5-phenylpiperazin-1-yl)-2-methoxyethanone
CID 82246368
(3-amino-2,2-dimethylpyrrolidin-1-yl)-(3-fluoro-4-methoxyphenyl)methanone
CID 115275231
(3-amino-2,2-dimethylpyrrolidin-1-yl)-naphthalen-1-ylmethanone
CID 115275261
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(2-methoxyethoxy)ethanone;hydrochloride
CID 120814620
2-methoxy-1-[(2S)-2-methyl-2-propan-2-ylpyrrolidin-1-yl]ethanone
CID 69170162
1-(3-amino-4-ethylpiperidin-1-yl)-2-methoxyethanone
CID 165440680
4-(2-methoxyacetyl)-3,3-dimethylpiperazine-2,6-dione
CID 66076122

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-2,2-dimethylpyrrolidin-1-yl)-2-methoxyethanone?
The IUPAC name of 1-(3-amino-2,2-dimethylpyrrolidin-1-yl)-2-methoxyethanone (CID 131208761) is 1-(3-amino-2,2-dimethylpyrrolidin-1-yl)-2-methoxyethanone.
What is the SMILES notation for 1-(3-amino-2,2-dimethylpyrrolidin-1-yl)-2-methoxyethanone?
The canonical SMILES for 1-(3-amino-2,2-dimethylpyrrolidin-1-yl)-2-methoxyethanone is COCC(=O)N1CCC(N)C1(C)C.
What is the InChIKey of 1-(3-amino-2,2-dimethylpyrrolidin-1-yl)-2-methoxyethanone?
The InChIKey is XOUIMIARDQUNAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-9(2)7(10)4-5-11(9)8(12)6-13-3/h7H,4-6,10H2,1-3H3.
What are the key properties of 1-(3-amino-2,2-dimethylpyrrolidin-1-yl)-2-methoxyethanone?
1-(3-amino-2,2-dimethylpyrrolidin-1-yl)-2-methoxyethanone has a molecular weight of 186.25 g/mol, XLogP of -0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-2,2-dimethylpyrrolidin-1-yl)-2-methoxyethanone is sourced from PubChem (CID 131208761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).