1-[3-(2-amino-1-hydroxyethyl)azetidin-1-yl]ethanone

C7H14N2O2 — CID 115006765

IUPAC1-[3-(2-amino-1-hydroxyethyl)azetidin-1-yl]ethanone
SMILESCC(=O)N1CC(C(O)CN)C1
InChIInChI=1S/C7H14N2O2/c1-5(10)9-3-6(4-9)7(11)2-8/h6-7,11H,2-4,8H2,1H3
InChIKeyBJXBVKRNOKETSZ-UHFFFAOYSA-N
MW158.20 g/mol
LogP-1.22
Rot. Bonds2

About 1-[3-(2-amino-1-hydroxyethyl)azetidin-1-yl]ethanone

1-[3-(2-amino-1-hydroxyethyl)azetidin-1-yl]ethanone (PubChem CID 115006765) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 1-[3-(2-amino-1-hydroxyethyl)azetidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-(2-amino-1-hydroxyethyl)azetidin-1-yl]ethanone
PubChem CID115006765
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name1-[3-(2-amino-1-hydroxyethyl)azetidin-1-yl]ethanone
SMILESCC(=O)N1CC(C(O)CN)C1
InChIInChI=1S/C7H14N2O2/c1-5(10)9-3-6(4-9)7(11)2-8/h6-7,11H,2-4,8H2,1H3
InChIKeyBJXBVKRNOKETSZ-UHFFFAOYSA-N
XLogP-1.22
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-1.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(2-amino-1-hydroxyethyl)azepan-1-yl]ethanone
CID 115006831
1-[3-amino-5-(1-hydroxypropyl)piperidin-1-yl]ethanone
CID 83989143
2-(1-acetylazetidin-3-yl)-2-aminoacetaldehyde
CID 144669065
methyl 3-(2-amino-1-hydroxyethyl)azepane-1-carboxylate
CID 115006437
1-[3-(2-amino-1-hydroxyethyl)pyrrolidin-1-yl]-2,2,2-trifluoroethanone
CID 115006788
methyl 4-(2-amino-1-hydroxyethyl)piperidine-1-carboxylate
CID 83881160
2-amino-1-cyclopropylethanol
CID 14852098
1-[3-(1-hydroxyethyl)-5-(methylamino)piperidin-1-yl]ethanone
CID 83989743
1-[3-(2-methylpropyl)azetidin-1-yl]ethanone
CID 130318512
acetamide;2-aminoethane-1,1-diol
CID 174289451
2-(1-acetylazetidin-3-yl)-2-(carboxyamino)acetic acid
CID 90299465
1-(3-fluoroazetidin-1-yl)ethanone
CID 89181336

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-amino-1-hydroxyethyl)azetidin-1-yl]ethanone?
The IUPAC name of 1-[3-(2-amino-1-hydroxyethyl)azetidin-1-yl]ethanone (CID 115006765) is 1-[3-(2-amino-1-hydroxyethyl)azetidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-(2-amino-1-hydroxyethyl)azetidin-1-yl]ethanone?
The canonical SMILES for 1-[3-(2-amino-1-hydroxyethyl)azetidin-1-yl]ethanone is CC(=O)N1CC(C(O)CN)C1.
What is the InChIKey of 1-[3-(2-amino-1-hydroxyethyl)azetidin-1-yl]ethanone?
The InChIKey is BJXBVKRNOKETSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-5(10)9-3-6(4-9)7(11)2-8/h6-7,11H,2-4,8H2,1H3.
What are the key properties of 1-[3-(2-amino-1-hydroxyethyl)azetidin-1-yl]ethanone?
1-[3-(2-amino-1-hydroxyethyl)azetidin-1-yl]ethanone has a molecular weight of 158.20 g/mol, XLogP of -1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-amino-1-hydroxyethyl)azetidin-1-yl]ethanone is sourced from PubChem (CID 115006765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).