3-amino-1-(3-hydroxyazetidin-1-yl)propan-1-one

C6H12N2O2 — CID 53409663

IUPAC3-amino-1-(3-hydroxyazetidin-1-yl)propan-1-one
SMILESNCCC(=O)N1CC(O)C1
InChIInChI=1S/C6H12N2O2/c7-2-1-6(10)8-3-5(9)4-8/h5,9H,1-4,7H2
InChIKeyCXWISQYTNLGJFY-UHFFFAOYSA-N
MW144.17 g/mol
LogP-1.46
Rot. Bonds2

About 3-amino-1-(3-hydroxyazetidin-1-yl)propan-1-one

3-amino-1-(3-hydroxyazetidin-1-yl)propan-1-one (PubChem CID 53409663) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is 3-amino-1-(3-hydroxyazetidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-amino-1-(3-hydroxyazetidin-1-yl)propan-1-one
PubChem CID53409663
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Name3-amino-1-(3-hydroxyazetidin-1-yl)propan-1-one
SMILESNCCC(=O)N1CC(O)C1
InChIInChI=1S/C6H12N2O2/c7-2-1-6(10)8-3-5(9)4-8/h5,9H,1-4,7H2
InChIKeyCXWISQYTNLGJFY-UHFFFAOYSA-N
XLogP-1.46
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 5-1.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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3-amino-1-[(3S,4S)-3,4-diethoxypyrrolidin-1-yl]propan-1-one
CID 129496848
3-amino-1-[(3R,4S)-3,4-diethoxypyrrolidin-1-yl]propan-1-one
CID 129496844
1-(3-hydroxyazetidin-1-yl)-2-iodoethanone
CID 89036981
1-(1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindol-2-yl)-3-aminopropan-1-one;hydrochloride
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CID 63105492
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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-hydroxyazetidin-1-yl)propan-1-one?
The IUPAC name of 3-amino-1-(3-hydroxyazetidin-1-yl)propan-1-one (CID 53409663) is 3-amino-1-(3-hydroxyazetidin-1-yl)propan-1-one.
What is the SMILES notation for 3-amino-1-(3-hydroxyazetidin-1-yl)propan-1-one?
The canonical SMILES for 3-amino-1-(3-hydroxyazetidin-1-yl)propan-1-one is NCCC(=O)N1CC(O)C1.
What is the InChIKey of 3-amino-1-(3-hydroxyazetidin-1-yl)propan-1-one?
The InChIKey is CXWISQYTNLGJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2/c7-2-1-6(10)8-3-5(9)4-8/h5,9H,1-4,7H2.
What are the key properties of 3-amino-1-(3-hydroxyazetidin-1-yl)propan-1-one?
3-amino-1-(3-hydroxyazetidin-1-yl)propan-1-one has a molecular weight of 144.17 g/mol, XLogP of -1.46, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3-hydroxyazetidin-1-yl)propan-1-one is sourced from PubChem (CID 53409663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).