2-(3-aminoazetidin-1-yl)-N-benzylacetamide

C12H17N3O — CID 63760913

IUPAC2-(3-aminoazetidin-1-yl)-N-benzylacetamide
SMILESNC1CN(CC(=O)NCc2ccccc2)C1
InChIInChI=1S/C12H17N3O/c13-11-7-15(8-11)9-12(16)14-6-10-4-2-1-3-5-10/h1-5,11H,6-9,13H2,(H,14,16)
InChIKeyCLTWIMLOQOHZJE-UHFFFAOYSA-N
MW219.29 g/mol
LogP-0.05
Rot. Bonds4

About 2-(3-aminoazetidin-1-yl)-N-benzylacetamide

2-(3-aminoazetidin-1-yl)-N-benzylacetamide (PubChem CID 63760913) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 2-(3-aminoazetidin-1-yl)-N-benzylacetamide.

Molecular Properties

Compound Name2-(3-aminoazetidin-1-yl)-N-benzylacetamide
PubChem CID63760913
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name2-(3-aminoazetidin-1-yl)-N-benzylacetamide
SMILESNC1CN(CC(=O)NCc2ccccc2)C1
InChIInChI=1S/C12H17N3O/c13-11-7-15(8-11)9-12(16)14-6-10-4-2-1-3-5-10/h1-5,11H,6-9,13H2,(H,14,16)
InChIKeyCLTWIMLOQOHZJE-UHFFFAOYSA-N
XLogP-0.05
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-benzylacetamide;hydrochloride
CID 120663951
N-benzyl-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide
CID 63267740
N-[2-(3-aminoazetidin-1-yl)acetyl]benzamide
CID 65249716
2-[1-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]azetidin-3-yl]acetic acid
CID 64616915
2-[(3S)-3-aminopyrrolidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide;hydrochloride
CID 119933946
N-benzyl-2-[(3S)-3-methylpiperazin-1-yl]acetamide
CID 104976872
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 120762151
N-benzyl-2-[7-[2-[(4-cyanophenyl)methylamino]-2-oxoethyl]-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl]acetamide
CID 69401621
2-[4-(acetamidomethyl)piperidin-1-yl]-N-benzylacetamide
CID 60510811
N-benzyl-2-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)azetidin-1-yl]acetamide
CID 165434280
2-(4-benzoylpiperidin-1-yl)-N-benzylacetamide
CID 26037570
2-[4-(azetidin-3-yl)piperazin-1-yl]-N-benzylacetamide
CID 66202371

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminoazetidin-1-yl)-N-benzylacetamide?
The IUPAC name of 2-(3-aminoazetidin-1-yl)-N-benzylacetamide (CID 63760913) is 2-(3-aminoazetidin-1-yl)-N-benzylacetamide.
What is the SMILES notation for 2-(3-aminoazetidin-1-yl)-N-benzylacetamide?
The canonical SMILES for 2-(3-aminoazetidin-1-yl)-N-benzylacetamide is NC1CN(CC(=O)NCc2ccccc2)C1.
What is the InChIKey of 2-(3-aminoazetidin-1-yl)-N-benzylacetamide?
The InChIKey is CLTWIMLOQOHZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c13-11-7-15(8-11)9-12(16)14-6-10-4-2-1-3-5-10/h1-5,11H,6-9,13H2,(H,14,16).
What are the key properties of 2-(3-aminoazetidin-1-yl)-N-benzylacetamide?
2-(3-aminoazetidin-1-yl)-N-benzylacetamide has a molecular weight of 219.29 g/mol, XLogP of -0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminoazetidin-1-yl)-N-benzylacetamide is sourced from PubChem (CID 63760913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).