2-amino-1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)ethanone

C8H14N2O2 — CID 107218721

IUPAC2-amino-1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)ethanone
SMILESNCC(=O)N1CC(O)(C2CC2)C1
InChIInChI=1S/C8H14N2O2/c9-3-7(11)10-4-8(12,5-10)6-1-2-6/h6,12H,1-5,9H2
InChIKeyRMPIAEKHFSBRAZ-UHFFFAOYSA-N
MW170.21 g/mol
LogP-1.07
Rot. Bonds2

About 2-amino-1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)ethanone

2-amino-1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)ethanone (PubChem CID 107218721) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 2-amino-1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)ethanone.

Molecular Properties

Compound Name2-amino-1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)ethanone
PubChem CID107218721
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name2-amino-1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)ethanone
SMILESNCC(=O)N1CC(O)(C2CC2)C1
InChIInChI=1S/C8H14N2O2/c9-3-7(11)10-4-8(12,5-10)6-1-2-6/h6,12H,1-5,9H2
InChIKeyRMPIAEKHFSBRAZ-UHFFFAOYSA-N
XLogP-1.07
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 5-1.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-2-(propan-2-ylamino)ethanone
CID 107218906
N-(2-aminoethyl)-2-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-2-oxoacetamide
CID 107211794
[1-(aminomethyl)cyclohexyl]-(3-cyclopropyl-3-hydroxyazetidin-1-yl)methanone
CID 107218784
2-amino-1-(3,3,4,4-tetrafluoropyrrolidin-1-yl)ethanone
CID 130681510
5-amino-1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-2-methylpentan-1-one
CID 107218972
3-(2-aminophenyl)-1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)propan-1-one
CID 107273470
3-cyclopropyl-3-hydroxy-N,N-dimethylazetidine-1-carboxamide
CID 79154860
(2R)-2-amino-1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-3-methylbutan-1-one
CID 107218806
2-amino-1-(4-aminopiperidin-1-yl)ethanone;hydrochloride
CID 131106028
(3-cyclopropyl-3-hydroxyazetidin-1-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 66475400
(2-aminocycloheptyl)-(3-cyclopropyl-3-hydroxyazetidin-1-yl)methanone
CID 107218851
(3-cyclopropyl-3-hydroxyazetidin-1-yl)-(3,5-diaminophenyl)methanone
CID 107210418

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)ethanone?
The IUPAC name of 2-amino-1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)ethanone (CID 107218721) is 2-amino-1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)ethanone.
What is the SMILES notation for 2-amino-1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)ethanone?
The canonical SMILES for 2-amino-1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)ethanone is NCC(=O)N1CC(O)(C2CC2)C1.
What is the InChIKey of 2-amino-1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)ethanone?
The InChIKey is RMPIAEKHFSBRAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c9-3-7(11)10-4-8(12,5-10)6-1-2-6/h6,12H,1-5,9H2.
What are the key properties of 2-amino-1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)ethanone?
2-amino-1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)ethanone has a molecular weight of 170.21 g/mol, XLogP of -1.07, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)ethanone is sourced from PubChem (CID 107218721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).