2-amino-1-(3,4-dimethoxypyrrolidin-1-yl)-2-methylpropan-1-one

C10H20N2O3 — CID 103533251

IUPAC2-amino-1-(3,4-dimethoxypyrrolidin-1-yl)-2-methylpropan-1-one
SMILESCOC1CN(C(=O)C(C)(C)N)CC1OC
InChIInChI=1S/C10H20N2O3/c1-10(2,11)9(13)12-5-7(14-3)8(6-12)15-4/h7-8H,5-6,11H2,1-4H3
InChIKeyFCFPYJHCHSJXFQ-UHFFFAOYSA-N
MW216.28 g/mol
LogP-0.40
Rot. Bonds3

About 2-amino-1-(3,4-dimethoxypyrrolidin-1-yl)-2-methylpropan-1-one

2-amino-1-(3,4-dimethoxypyrrolidin-1-yl)-2-methylpropan-1-one (PubChem CID 103533251) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-amino-1-(3,4-dimethoxypyrrolidin-1-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name2-amino-1-(3,4-dimethoxypyrrolidin-1-yl)-2-methylpropan-1-one
PubChem CID103533251
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name2-amino-1-(3,4-dimethoxypyrrolidin-1-yl)-2-methylpropan-1-one
SMILESCOC1CN(C(=O)C(C)(C)N)CC1OC
InChIInChI=1S/C10H20N2O3/c1-10(2,11)9(13)12-5-7(14-3)8(6-12)15-4/h7-8H,5-6,11H2,1-4H3
InChIKeyFCFPYJHCHSJXFQ-UHFFFAOYSA-N
XLogP-0.40
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (3S,4S)-3,4-dimethoxypyrrolidine-1-carboxylate
CID 57078219
(3R,4S)-3,4-dimethoxypyrrolidine-1-carboxylic acid
CID 20745982
1-(3,4-dimethoxypyrrolidin-1-yl)ethanone
CID 89259810
3,4-dimethoxypyrrolidine-1-carbohydrazide
CID 103536753
1-(2-amino-2-methylpropanoyl)-4-methylpyrrolidine-3-carboxylic acid
CID 63720560
2-amino-1-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methylpropan-1-one;hydrochloride
CID 119322639
3-(3,4-dimethoxypyrrolidin-1-yl)-N'-hydroxy-3-oxopropanimidamide
CID 103536736
2-amino-1-(4-aminopiperidin-1-yl)-2-methylpropan-1-one
CID 110460861
2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-2-methylpropan-1-one;hydrochloride
CID 119322528
2-amino-2-methyl-1-(3-methylpiperidin-1-yl)propan-1-one;hydrochloride
CID 53409021
1-(2-amino-2-methylpropanoyl)piperidine-3,4-dicarboxylic acid
CID 112568085
2-amino-1-(3-hydroxypiperidin-1-yl)-2-methylpropan-1-one
CID 61264597

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3,4-dimethoxypyrrolidin-1-yl)-2-methylpropan-1-one?
The IUPAC name of 2-amino-1-(3,4-dimethoxypyrrolidin-1-yl)-2-methylpropan-1-one (CID 103533251) is 2-amino-1-(3,4-dimethoxypyrrolidin-1-yl)-2-methylpropan-1-one.
What is the SMILES notation for 2-amino-1-(3,4-dimethoxypyrrolidin-1-yl)-2-methylpropan-1-one?
The canonical SMILES for 2-amino-1-(3,4-dimethoxypyrrolidin-1-yl)-2-methylpropan-1-one is COC1CN(C(=O)C(C)(C)N)CC1OC.
What is the InChIKey of 2-amino-1-(3,4-dimethoxypyrrolidin-1-yl)-2-methylpropan-1-one?
The InChIKey is FCFPYJHCHSJXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-10(2,11)9(13)12-5-7(14-3)8(6-12)15-4/h7-8H,5-6,11H2,1-4H3.
What are the key properties of 2-amino-1-(3,4-dimethoxypyrrolidin-1-yl)-2-methylpropan-1-one?
2-amino-1-(3,4-dimethoxypyrrolidin-1-yl)-2-methylpropan-1-one has a molecular weight of 216.28 g/mol, XLogP of -0.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3,4-dimethoxypyrrolidin-1-yl)-2-methylpropan-1-one is sourced from PubChem (CID 103533251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).