2-(3-aminoazetidin-1-yl)-N-(ethylcarbamoyl)acetamide

C8H16N4O2 — CID 65249628

IUPAC2-(3-aminoazetidin-1-yl)-N-(ethylcarbamoyl)acetamide
SMILESCCNC(=O)NC(=O)CN1CC(N)C1
InChIInChI=1S/C8H16N4O2/c1-2-10-8(14)11-7(13)5-12-3-6(9)4-12/h6H,2-5,9H2,1H3,(H2,10,11,13,14)
InChIKeySSCBYHNDTKLQNV-UHFFFAOYSA-N
MW200.24 g/mol
LogP-1.52
Rot. Bonds3

About 2-(3-aminoazetidin-1-yl)-N-(ethylcarbamoyl)acetamide

2-(3-aminoazetidin-1-yl)-N-(ethylcarbamoyl)acetamide (PubChem CID 65249628) has the molecular formula C8H16N4O2 and a molecular weight of 200.24 g/mol. Its IUPAC name is 2-(3-aminoazetidin-1-yl)-N-(ethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(3-aminoazetidin-1-yl)-N-(ethylcarbamoyl)acetamide
PubChem CID65249628
Molecular FormulaC8H16N4O2
Molecular Weight200.24 g/mol
Exact Mass200.13
IUPAC Name2-(3-aminoazetidin-1-yl)-N-(ethylcarbamoyl)acetamide
SMILESCCNC(=O)NC(=O)CN1CC(N)C1
InChIInChI=1S/C8H16N4O2/c1-2-10-8(14)11-7(13)5-12-3-6(9)4-12/h6H,2-5,9H2,1H3,(H2,10,11,13,14)
InChIKeySSCBYHNDTKLQNV-UHFFFAOYSA-N
XLogP-1.52
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-1.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-(ethylcarbamoyl)acetamide
CID 25376066
N-(ethylcarbamoyl)-2-[(3S)-3-methylpiperazin-1-yl]acetamide
CID 104976988
2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(ethylcarbamoyl)acetamide
CID 124744214
N-(ethylcarbamoyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)acetamide
CID 103898104
2-(3-amino-4-methylpyrrolidin-1-yl)-N-(propylcarbamoyl)acetamide
CID 103576948
3-[1-[2-(ethylcarbamoylamino)-2-oxoethyl]piperidin-4-yl]propanoic acid
CID 62217877
ethyl 1-[2-(ethylcarbamoylamino)-2-oxoethyl]piperidine-4-carboxylate
CID 27152328
methyl 1-[2-(ethylcarbamoylamino)-2-oxoethyl]pyrrolidine-3-carboxylate
CID 47280826
2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(ethylcarbamoyl)acetamide
CID 113319982
2-[3-(1-aminoethyl)piperidin-1-yl]-N-(ethylcarbamoyl)acetamide;hydrochloride
CID 119925446
2-(3-aminoazetidin-1-yl)-N-propan-2-ylacetamide
CID 63760908
2-(3,5-dimethylpiperidin-1-yl)-N-(propylcarbamoyl)acetamide
CID 51170715

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminoazetidin-1-yl)-N-(ethylcarbamoyl)acetamide?
The IUPAC name of 2-(3-aminoazetidin-1-yl)-N-(ethylcarbamoyl)acetamide (CID 65249628) is 2-(3-aminoazetidin-1-yl)-N-(ethylcarbamoyl)acetamide.
What is the SMILES notation for 2-(3-aminoazetidin-1-yl)-N-(ethylcarbamoyl)acetamide?
The canonical SMILES for 2-(3-aminoazetidin-1-yl)-N-(ethylcarbamoyl)acetamide is CCNC(=O)NC(=O)CN1CC(N)C1.
What is the InChIKey of 2-(3-aminoazetidin-1-yl)-N-(ethylcarbamoyl)acetamide?
The InChIKey is SSCBYHNDTKLQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O2/c1-2-10-8(14)11-7(13)5-12-3-6(9)4-12/h6H,2-5,9H2,1H3,(H2,10,11,13,14).
What are the key properties of 2-(3-aminoazetidin-1-yl)-N-(ethylcarbamoyl)acetamide?
2-(3-aminoazetidin-1-yl)-N-(ethylcarbamoyl)acetamide has a molecular weight of 200.24 g/mol, XLogP of -1.52, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminoazetidin-1-yl)-N-(ethylcarbamoyl)acetamide is sourced from PubChem (CID 65249628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).