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

C11H22N2O4 — CID 103533201

IUPAC2-amino-1-(3,4-dimethoxypyrrolidin-1-yl)-4-methoxybutan-1-one
SMILESCOCCC(N)C(=O)N1CC(OC)C(OC)C1
InChIInChI=1S/C11H22N2O4/c1-15-5-4-8(12)11(14)13-6-9(16-2)10(7-13)17-3/h8-10H,4-7,12H2,1-3H3
InChIKeyKUQGIYNJOMFEMX-UHFFFAOYSA-N
MW246.31 g/mol
LogP-0.78
Rot. Bonds6

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

2-amino-1-(3,4-dimethoxypyrrolidin-1-yl)-4-methoxybutan-1-one (PubChem CID 103533201) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-amino-1-(3,4-dimethoxypyrrolidin-1-yl)-4-methoxybutan-1-one.

Molecular Properties

Compound Name2-amino-1-(3,4-dimethoxypyrrolidin-1-yl)-4-methoxybutan-1-one
PubChem CID103533201
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC Name2-amino-1-(3,4-dimethoxypyrrolidin-1-yl)-4-methoxybutan-1-one
SMILESCOCCC(N)C(=O)N1CC(OC)C(OC)C1
InChIInChI=1S/C11H22N2O4/c1-15-5-4-8(12)11(14)13-6-9(16-2)10(7-13)17-3/h8-10H,4-7,12H2,1-3H3
InChIKeyKUQGIYNJOMFEMX-UHFFFAOYSA-N
XLogP-0.78
TPSA74.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 5-0.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

2-amino-4-methoxy-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-1-one
CID 66370036
2-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-4-methoxybutan-1-one
CID 107217277
2-amino-1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-4-methoxybutan-1-one
CID 81465305
2-amino-1-(3,4-dimethoxypyrrolidin-1-yl)-3-phenylpropan-1-one
CID 103533196
2-amino-4-methoxy-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)butan-1-one
CID 79170242
1-(2-amino-4-methoxybutanoyl)-N,N-dimethylpiperidine-4-carboxamide
CID 62474132
1-(2-amino-4-methoxybutanoyl)piperidine-3-carboxylic acid
CID 62475203
2-amino-1-(1,3-dihydroisoindol-2-yl)-4-methoxybutan-1-one
CID 62476291
2-[1-(2-amino-5-methoxypentanoyl)azetidin-3-yl]acetic acid
CID 81101945
2-amino-1-(3-hydroxy-3-propylazetidin-1-yl)-4-methoxybutan-1-one
CID 107220007
2-amino-1-(2-ethyl-1,4-oxazepan-4-yl)-4-methoxybutan-1-one
CID 114218401
butyl 4-(2-amino-4-methoxybutanoyl)piperazine-1-carboxylate
CID 68599877

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3,4-dimethoxypyrrolidin-1-yl)-4-methoxybutan-1-one?
The IUPAC name of 2-amino-1-(3,4-dimethoxypyrrolidin-1-yl)-4-methoxybutan-1-one (CID 103533201) is 2-amino-1-(3,4-dimethoxypyrrolidin-1-yl)-4-methoxybutan-1-one.
What is the SMILES notation for 2-amino-1-(3,4-dimethoxypyrrolidin-1-yl)-4-methoxybutan-1-one?
The canonical SMILES for 2-amino-1-(3,4-dimethoxypyrrolidin-1-yl)-4-methoxybutan-1-one is COCCC(N)C(=O)N1CC(OC)C(OC)C1.
What is the InChIKey of 2-amino-1-(3,4-dimethoxypyrrolidin-1-yl)-4-methoxybutan-1-one?
The InChIKey is KUQGIYNJOMFEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4/c1-15-5-4-8(12)11(14)13-6-9(16-2)10(7-13)17-3/h8-10H,4-7,12H2,1-3H3.
What are the key properties of 2-amino-1-(3,4-dimethoxypyrrolidin-1-yl)-4-methoxybutan-1-one?
2-amino-1-(3,4-dimethoxypyrrolidin-1-yl)-4-methoxybutan-1-one has a molecular weight of 246.31 g/mol, XLogP of -0.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3,4-dimethoxypyrrolidin-1-yl)-4-methoxybutan-1-one is sourced from PubChem (CID 103533201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).