1-(3-aminopyrrolidin-1-yl)-2-(1-methoxycyclobutyl)ethanone

C11H20N2O2 — CID 103557253

IUPAC1-(3-aminopyrrolidin-1-yl)-2-(1-methoxycyclobutyl)ethanone
SMILESCOC1(CC(=O)N2CCC(N)C2)CCC1
InChIInChI=1S/C11H20N2O2/c1-15-11(4-2-5-11)7-10(14)13-6-3-9(12)8-13/h9H,2-8,12H2,1H3
InChIKeyMIELXRMFXCFLFI-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.51
Rot. Bonds3

About 1-(3-aminopyrrolidin-1-yl)-2-(1-methoxycyclobutyl)ethanone

1-(3-aminopyrrolidin-1-yl)-2-(1-methoxycyclobutyl)ethanone (PubChem CID 103557253) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 1-(3-aminopyrrolidin-1-yl)-2-(1-methoxycyclobutyl)ethanone.

Molecular Properties

Compound Name1-(3-aminopyrrolidin-1-yl)-2-(1-methoxycyclobutyl)ethanone
PubChem CID103557253
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name1-(3-aminopyrrolidin-1-yl)-2-(1-methoxycyclobutyl)ethanone
SMILESCOC1(CC(=O)N2CCC(N)C2)CCC1
InChIInChI=1S/C11H20N2O2/c1-15-11(4-2-5-11)7-10(14)13-6-3-9(12)8-13/h9H,2-8,12H2,1H3
InChIKeyMIELXRMFXCFLFI-UHFFFAOYSA-N
XLogP0.51
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-2-(1-methoxycyclobutyl)ethanone
CID 103557359
1-[2-(1-methoxycyclobutyl)acetyl]piperidine-3-sulfonamide
CID 103522077
1-(3-amino-3-methylazetidin-1-yl)-2-(1-methoxycyclobutyl)ethanone
CID 103558366
N'-hydroxy-1-[2-(1-methoxycyclobutyl)acetyl]piperidine-4-carboximidamide
CID 103557944
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(1-methoxycyclobutyl)ethanone
CID 103557372
1-[2-(1-methoxycyclobutyl)acetyl]azetidine-3-carboxylic acid
CID 103555656
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(1-methoxycyclobutyl)ethanone
CID 103520062
2-[(2R)-4-[2-(1-methoxycyclobutyl)acetyl]morpholin-2-yl]acetic acid
CID 129414298
1-(3-ethyl-3-hydroxyazetidin-1-yl)-2-(1-methoxycyclobutyl)ethanone
CID 103557185
2-(1-methoxycyclobutyl)-1-(4-propan-2-yl-2,3,5,5a,6,7,9,9a-octahydropyrido[4,3-f][1,4]oxazepin-8-yl)ethanone
CID 131689011
(4R)-4-[1-[2-(1-methoxycyclobutyl)acetyl]piperidin-4-yl]-3,3-dimethylazetidin-2-one
CID 129345065
[(3R)-3-aminopyrrolidin-1-yl]-[1-(2-methoxyethyl)cyclobutyl]methanone
CID 119412473

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopyrrolidin-1-yl)-2-(1-methoxycyclobutyl)ethanone?
The IUPAC name of 1-(3-aminopyrrolidin-1-yl)-2-(1-methoxycyclobutyl)ethanone (CID 103557253) is 1-(3-aminopyrrolidin-1-yl)-2-(1-methoxycyclobutyl)ethanone.
What is the SMILES notation for 1-(3-aminopyrrolidin-1-yl)-2-(1-methoxycyclobutyl)ethanone?
The canonical SMILES for 1-(3-aminopyrrolidin-1-yl)-2-(1-methoxycyclobutyl)ethanone is COC1(CC(=O)N2CCC(N)C2)CCC1.
What is the InChIKey of 1-(3-aminopyrrolidin-1-yl)-2-(1-methoxycyclobutyl)ethanone?
The InChIKey is MIELXRMFXCFLFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-15-11(4-2-5-11)7-10(14)13-6-3-9(12)8-13/h9H,2-8,12H2,1H3.
What are the key properties of 1-(3-aminopyrrolidin-1-yl)-2-(1-methoxycyclobutyl)ethanone?
1-(3-aminopyrrolidin-1-yl)-2-(1-methoxycyclobutyl)ethanone has a molecular weight of 212.29 g/mol, XLogP of 0.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopyrrolidin-1-yl)-2-(1-methoxycyclobutyl)ethanone is sourced from PubChem (CID 103557253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).