2-amino-1-(3-methoxypyrrolidin-1-yl)ethanone

C7H14N2O2 — CID 66564445

IUPAC2-amino-1-(3-methoxypyrrolidin-1-yl)ethanone
SMILESCOC1CCN(C(=O)CN)C1
InChIInChI=1S/C7H14N2O2/c1-11-6-2-3-9(5-6)7(10)4-8/h6H,2-5,8H2,1H3
InChIKeyNWFUOELYCJKPNX-UHFFFAOYSA-N
MW158.20 g/mol
LogP-0.81
Rot. Bonds2

About 2-amino-1-(3-methoxypyrrolidin-1-yl)ethanone

2-amino-1-(3-methoxypyrrolidin-1-yl)ethanone (PubChem CID 66564445) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 2-amino-1-(3-methoxypyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name2-amino-1-(3-methoxypyrrolidin-1-yl)ethanone
PubChem CID66564445
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name2-amino-1-(3-methoxypyrrolidin-1-yl)ethanone
SMILESCOC1CCN(C(=O)CN)C1
InChIInChI=1S/C7H14N2O2/c1-11-6-2-3-9(5-6)7(10)4-8/h6H,2-5,8H2,1H3
InChIKeyNWFUOELYCJKPNX-UHFFFAOYSA-N
XLogP-0.81
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-0.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(3-methoxypiperidin-1-yl)ethanone
CID 66564450
4-amino-3-methoxy-1-(3-methoxypyrrolidin-1-yl)butan-1-one
CID 103532964
6-amino-1-(3-methoxypyrrolidin-1-yl)hexan-1-one
CID 103532834
2-chloro-1-(3-methoxypyrrolidin-1-yl)ethanone
CID 66564435
1-(3-methoxypyrrolidin-1-yl)pentane-1,4-dione
CID 103533267
1-(3-methoxypyrrolidin-1-yl)-2-(methylamino)ethanone
CID 83628524
4-(3-methoxypyrrolidin-1-yl)-2,2-dimethyl-4-oxobutanoic acid
CID 103531279
3-amino-1-(3-methoxypyrrolidin-1-yl)pentan-1-one
CID 103532824
1-(3-methoxypyrrolidin-1-yl)ethanone
CID 19039602
5-hydroxy-1-(3-methoxypyrrolidin-1-yl)pentan-1-one
CID 19039692
4-hydroxy-1-(3-methoxypyrrolidin-1-yl)pentan-1-one
CID 103540685
3-amino-1-(3-methoxypyrrolidin-1-yl)hexan-1-one
CID 103532931

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-methoxypyrrolidin-1-yl)ethanone?
The IUPAC name of 2-amino-1-(3-methoxypyrrolidin-1-yl)ethanone (CID 66564445) is 2-amino-1-(3-methoxypyrrolidin-1-yl)ethanone.
What is the SMILES notation for 2-amino-1-(3-methoxypyrrolidin-1-yl)ethanone?
The canonical SMILES for 2-amino-1-(3-methoxypyrrolidin-1-yl)ethanone is COC1CCN(C(=O)CN)C1.
What is the InChIKey of 2-amino-1-(3-methoxypyrrolidin-1-yl)ethanone?
The InChIKey is NWFUOELYCJKPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-11-6-2-3-9(5-6)7(10)4-8/h6H,2-5,8H2,1H3.
What are the key properties of 2-amino-1-(3-methoxypyrrolidin-1-yl)ethanone?
2-amino-1-(3-methoxypyrrolidin-1-yl)ethanone has a molecular weight of 158.20 g/mol, XLogP of -0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-methoxypyrrolidin-1-yl)ethanone is sourced from PubChem (CID 66564445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).