1-[3-(aminomethyl)azetidin-1-yl]-2-methoxyethanone;hydrochloride

C7H15ClN2O2 — CID 86775412

IUPAC1-[3-(aminomethyl)azetidin-1-yl]-2-methoxyethanone;hydrochloride
SMILESCOCC(=O)N1CC(CN)C1.Cl
InChIInChI=1S/C7H14N2O2.ClH/c1-11-5-7(10)9-3-6(2-8)4-9;/h6H,2-5,8H2,1H3;1H
InChIKeyYBPXFIBCIRETLG-UHFFFAOYSA-N
MW194.66 g/mol
LogP-0.53
Rot. Bonds3

About 1-[3-(aminomethyl)azetidin-1-yl]-2-methoxyethanone;hydrochloride

1-[3-(aminomethyl)azetidin-1-yl]-2-methoxyethanone;hydrochloride (PubChem CID 86775412) has the molecular formula C7H15ClN2O2 and a molecular weight of 194.66 g/mol. Its IUPAC name is 1-[3-(aminomethyl)azetidin-1-yl]-2-methoxyethanone;hydrochloride.

Molecular Properties

Compound Name1-[3-(aminomethyl)azetidin-1-yl]-2-methoxyethanone;hydrochloride
PubChem CID86775412
Molecular FormulaC7H15ClN2O2
Molecular Weight194.66 g/mol
Exact Mass194.08
IUPAC Name1-[3-(aminomethyl)azetidin-1-yl]-2-methoxyethanone;hydrochloride
SMILESCOCC(=O)N1CC(CN)C1.Cl
InChIInChI=1S/C7H14N2O2.ClH/c1-11-5-7(10)9-3-6(2-8)4-9;/h6H,2-5,8H2,1H3;1H
InChIKeyYBPXFIBCIRETLG-UHFFFAOYSA-N
XLogP-0.53
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.66
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-Amino-3-methylazetidin-1-yl)-2-methoxyethan-1-one
CID 65951939
N-(3-aminopropyl)-2-methoxyacetamide hydrochloride
CID 154747260
1-[3-(Aminomethyl)azetidin-1-yl]-2-methoxyethan-1-one
CID 65991979
1-[3-(Aminomethyl)azetidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
CID 103212954
N-[2-[(dimethylamino)methyl]-3-[(2-methoxyacetyl)amino]propyl]-2-methoxyacetamide
CID 53855941
1-(3-Aminoazetidin-1-yl)-2-methoxyethan-1-one
CID 63755631
2-[2-(2-methoxyethoxy)ethoxy]-N-[(1-methylazetidin-3-yl)methyl]acetamide
CID 89470476
2-Methoxy-1-(3-methylazetidin-1-yl)ethanone
CID 128138041
N-[(1-ethylazetidin-3-yl)methyl]-2-[2-(2-methoxyethoxy)ethoxy]acetamide
CID 144154268
2-methoxy-N-[3-(methylamino)propyl]-N-(2-methylpropyl)acetamide
CID 147604351
2-methoxy-N-methyl-N-[(1-methylazetidin-3-yl)methyl]acetamide
CID 156559149
2-methoxy-N-[(1-methylazetidin-3-yl)methyl]acetamide
CID 156559162

Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)azetidin-1-yl]-2-methoxyethanone;hydrochloride?
The IUPAC name of 1-[3-(aminomethyl)azetidin-1-yl]-2-methoxyethanone;hydrochloride (CID 86775412) is 1-[3-(aminomethyl)azetidin-1-yl]-2-methoxyethanone;hydrochloride.
What is the SMILES notation for 1-[3-(aminomethyl)azetidin-1-yl]-2-methoxyethanone;hydrochloride?
The canonical SMILES for 1-[3-(aminomethyl)azetidin-1-yl]-2-methoxyethanone;hydrochloride is COCC(=O)N1CC(CN)C1.Cl.
What is the InChIKey of 1-[3-(aminomethyl)azetidin-1-yl]-2-methoxyethanone;hydrochloride?
The InChIKey is YBPXFIBCIRETLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2.ClH/c1-11-5-7(10)9-3-6(2-8)4-9;/h6H,2-5,8H2,1H3;1H.
What are the key properties of 1-[3-(aminomethyl)azetidin-1-yl]-2-methoxyethanone;hydrochloride?
1-[3-(aminomethyl)azetidin-1-yl]-2-methoxyethanone;hydrochloride has a molecular weight of 194.66 g/mol, XLogP of -0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)azetidin-1-yl]-2-methoxyethanone;hydrochloride is sourced from PubChem (CID 86775412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).