N-[2-(3-aminoazetidin-1-yl)acetyl]benzamide

C12H15N3O2 — CID 65249716

IUPACN-[2-(3-aminoazetidin-1-yl)acetyl]benzamide
SMILESNC1CN(CC(=O)NC(=O)c2ccccc2)C1
InChIInChI=1S/C12H15N3O2/c13-10-6-15(7-10)8-11(16)14-12(17)9-4-2-1-3-5-9/h1-5,10H,6-8,13H2,(H,14,16,17)
InChIKeyGCXKEHBBSLUFOW-UHFFFAOYSA-N
MW233.27 g/mol
LogP-0.41
Rot. Bonds3

About N-[2-(3-aminoazetidin-1-yl)acetyl]benzamide

N-[2-(3-aminoazetidin-1-yl)acetyl]benzamide (PubChem CID 65249716) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is N-[2-(3-aminoazetidin-1-yl)acetyl]benzamide.

Molecular Properties

Compound NameN-[2-(3-aminoazetidin-1-yl)acetyl]benzamide
PubChem CID65249716
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC NameN-[2-(3-aminoazetidin-1-yl)acetyl]benzamide
SMILESNC1CN(CC(=O)NC(=O)c2ccccc2)C1
InChIInChI=1S/C12H15N3O2/c13-10-6-15(7-10)8-11(16)14-12(17)9-4-2-1-3-5-9/h1-5,10H,6-8,13H2,(H,14,16,17)
InChIKeyGCXKEHBBSLUFOW-UHFFFAOYSA-N
XLogP-0.41
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-aminoazetidin-1-yl)-N-benzylacetamide
CID 63760913
N-[2-[(3R)-3-methylpiperazin-1-yl]acetyl]benzamide
CID 104975759
N-[2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]acetyl]benzamide
CID 102935865
N-[2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)acetyl]benzamide
CID 102682485
N-[2-[4-(1-aminoethyl)piperidin-1-yl]acetyl]benzamide
CID 63596753
N'-[2-(3-aminopiperidin-1-yl)acetyl]benzohydrazide
CID 61295576
N-[2-[(3R)-3-aminopiperidin-1-yl]acetyl]-4-chlorobenzamide
CID 102985314
3-amino-1-(2-benzamido-2-oxoethyl)pyrrolidine-3-carboxylic acid
CID 107324258
N-[2-[(3S)-3-aminopyrrolidin-1-yl]acetyl]-2-bromobenzamide
CID 115302357
N-[2-[(3R)-3-aminopiperidin-1-yl]acetyl]-2-chlorobenzamide
CID 102985024
N'-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetyl]benzohydrazide
CID 8898901
N-[2-[2-(hydroxymethyl)piperidin-1-yl]acetyl]benzamide
CID 60684983

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-aminoazetidin-1-yl)acetyl]benzamide?
The IUPAC name of N-[2-(3-aminoazetidin-1-yl)acetyl]benzamide (CID 65249716) is N-[2-(3-aminoazetidin-1-yl)acetyl]benzamide.
What is the SMILES notation for N-[2-(3-aminoazetidin-1-yl)acetyl]benzamide?
The canonical SMILES for N-[2-(3-aminoazetidin-1-yl)acetyl]benzamide is NC1CN(CC(=O)NC(=O)c2ccccc2)C1.
What is the InChIKey of N-[2-(3-aminoazetidin-1-yl)acetyl]benzamide?
The InChIKey is GCXKEHBBSLUFOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c13-10-6-15(7-10)8-11(16)14-12(17)9-4-2-1-3-5-9/h1-5,10H,6-8,13H2,(H,14,16,17).
What are the key properties of N-[2-(3-aminoazetidin-1-yl)acetyl]benzamide?
N-[2-(3-aminoazetidin-1-yl)acetyl]benzamide has a molecular weight of 233.27 g/mol, XLogP of -0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-aminoazetidin-1-yl)acetyl]benzamide is sourced from PubChem (CID 65249716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).