4-amino-3-methoxy-1-(3-methoxypyrrolidin-1-yl)butan-1-one

C10H20N2O3 — CID 103532964

IUPAC4-amino-3-methoxy-1-(3-methoxypyrrolidin-1-yl)butan-1-one
SMILESCOC(CN)CC(=O)N1CCC(OC)C1
InChIInChI=1S/C10H20N2O3/c1-14-8-3-4-12(7-8)10(13)5-9(6-11)15-2/h8-9H,3-7,11H2,1-2H3
InChIKeyKLBCYRSOHQMPJW-UHFFFAOYSA-N
MW216.28 g/mol
LogP-0.40
Rot. Bonds5

About 4-amino-3-methoxy-1-(3-methoxypyrrolidin-1-yl)butan-1-one

4-amino-3-methoxy-1-(3-methoxypyrrolidin-1-yl)butan-1-one (PubChem CID 103532964) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 4-amino-3-methoxy-1-(3-methoxypyrrolidin-1-yl)butan-1-one.

Molecular Properties

Compound Name4-amino-3-methoxy-1-(3-methoxypyrrolidin-1-yl)butan-1-one
PubChem CID103532964
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name4-amino-3-methoxy-1-(3-methoxypyrrolidin-1-yl)butan-1-one
SMILESCOC(CN)CC(=O)N1CCC(OC)C1
InChIInChI=1S/C10H20N2O3/c1-14-8-3-4-12(7-8)10(13)5-9(6-11)15-2/h8-9H,3-7,11H2,1-2H3
InChIKeyKLBCYRSOHQMPJW-UHFFFAOYSA-N
XLogP-0.40
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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

2-amino-1-(3-methoxypyrrolidin-1-yl)ethanone
CID 66564445
4-amino-1-(4-cyclopentyloxypiperidin-1-yl)-3-methoxybutan-1-one;hydrochloride
CID 120591144
3-amino-1-(3-methoxypyrrolidin-1-yl)pentan-1-one
CID 103532824
4-amino-3-methoxy-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-1-one
CID 103155852
4-amino-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-3-methoxybutan-1-one
CID 103156847
3-amino-1-(3-methoxypyrrolidin-1-yl)hexan-1-one
CID 103532931
4-amino-1-(3-hydroxypiperidin-1-yl)-3-methoxybutan-1-one
CID 103154344
4-amino-3-methoxy-1-[3-(2-methylpropyl)pyrrolidin-1-yl]butan-1-one;hydrochloride
CID 120592110
4-amino-1-[3-(diethylamino)pyrrolidin-1-yl]-3-methoxybutan-1-one;dihydrochloride
CID 120595144
4-amino-1-[3-(hydroxymethyl)azetidin-1-yl]-3-methoxybutan-1-one
CID 107220567
4-amino-1-(3,4-dihydroxypyrrolidin-1-yl)-3-methoxybutan-1-one
CID 106668761
4-amino-3-methoxy-1-(4-methylazepan-1-yl)butan-1-one
CID 103155888

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-1-(3-methoxypyrrolidin-1-yl)butan-1-one?
The IUPAC name of 4-amino-3-methoxy-1-(3-methoxypyrrolidin-1-yl)butan-1-one (CID 103532964) is 4-amino-3-methoxy-1-(3-methoxypyrrolidin-1-yl)butan-1-one.
What is the SMILES notation for 4-amino-3-methoxy-1-(3-methoxypyrrolidin-1-yl)butan-1-one?
The canonical SMILES for 4-amino-3-methoxy-1-(3-methoxypyrrolidin-1-yl)butan-1-one is COC(CN)CC(=O)N1CCC(OC)C1.
What is the InChIKey of 4-amino-3-methoxy-1-(3-methoxypyrrolidin-1-yl)butan-1-one?
The InChIKey is KLBCYRSOHQMPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-14-8-3-4-12(7-8)10(13)5-9(6-11)15-2/h8-9H,3-7,11H2,1-2H3.
What are the key properties of 4-amino-3-methoxy-1-(3-methoxypyrrolidin-1-yl)butan-1-one?
4-amino-3-methoxy-1-(3-methoxypyrrolidin-1-yl)butan-1-one has a molecular weight of 216.28 g/mol, XLogP of -0.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-1-(3-methoxypyrrolidin-1-yl)butan-1-one is sourced from PubChem (CID 103532964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).