2-(3-aminoazetidin-1-yl)-N-(methylcarbamoyl)propanamide

C8H16N4O2 — CID 63761122

IUPAC2-(3-aminoazetidin-1-yl)-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)N1CC(N)C1
InChIInChI=1S/C8H16N4O2/c1-5(12-3-6(9)4-12)7(13)11-8(14)10-2/h5-6H,3-4,9H2,1-2H3,(H2,10,11,13,14)
InChIKeyXLINVRAZDXFJIJ-UHFFFAOYSA-N
MW200.24 g/mol
LogP-1.53
Rot. Bonds2

About 2-(3-aminoazetidin-1-yl)-N-(methylcarbamoyl)propanamide

2-(3-aminoazetidin-1-yl)-N-(methylcarbamoyl)propanamide (PubChem CID 63761122) has the molecular formula C8H16N4O2 and a molecular weight of 200.24 g/mol. Its IUPAC name is 2-(3-aminoazetidin-1-yl)-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-(3-aminoazetidin-1-yl)-N-(methylcarbamoyl)propanamide
PubChem CID63761122
Molecular FormulaC8H16N4O2
Molecular Weight200.24 g/mol
Exact Mass200.13
IUPAC Name2-(3-aminoazetidin-1-yl)-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)N1CC(N)C1
InChIInChI=1S/C8H16N4O2/c1-5(12-3-6(9)4-12)7(13)11-8(14)10-2/h5-6H,3-4,9H2,1-2H3,(H2,10,11,13,14)
InChIKeyXLINVRAZDXFJIJ-UHFFFAOYSA-N
XLogP-1.53
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-1.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-dimethylpiperidin-1-yl)-N-(methylcarbamoyl)propanamide
CID 51170713
2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(methylcarbamoyl)propanamide
CID 60917515
2-(4-amino-3-methylpiperidin-1-yl)-N-(methylcarbamoyl)propanamide
CID 79867465
2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-(methylcarbamoyl)propanamide
CID 112630269
2-(3-aminoazetidin-1-yl)-N-cyclopropylpropanamide
CID 63761129
2-[4-(methylamino)piperidin-1-yl]-N-(methylcarbamoyl)propanamide
CID 60820303
2-[4-(methylamino)piperidin-1-yl]-N-(methylcarbamoyl)propanamide;hydrochloride
CID 119923499
2-(3-amino-5-methylpiperidin-1-yl)-N-methylpropanamide
CID 79993684
2-(3-aminoazetidin-1-yl)-N-(3-methylbutyl)propanamide
CID 63761130
2-(3-aminoazetidin-1-yl)-N-butylpropanamide
CID 63760897
2-(4-amino-2-methylpiperidin-1-yl)-N-(methylcarbamoyl)propanamide
CID 115313018
2-(3-aminopyrrolidin-1-yl)-N-(ethylcarbamoyl)propanamide;hydrochloride
CID 119917700

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminoazetidin-1-yl)-N-(methylcarbamoyl)propanamide?
The IUPAC name of 2-(3-aminoazetidin-1-yl)-N-(methylcarbamoyl)propanamide (CID 63761122) is 2-(3-aminoazetidin-1-yl)-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for 2-(3-aminoazetidin-1-yl)-N-(methylcarbamoyl)propanamide?
The canonical SMILES for 2-(3-aminoazetidin-1-yl)-N-(methylcarbamoyl)propanamide is CNC(=O)NC(=O)C(C)N1CC(N)C1.
What is the InChIKey of 2-(3-aminoazetidin-1-yl)-N-(methylcarbamoyl)propanamide?
The InChIKey is XLINVRAZDXFJIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O2/c1-5(12-3-6(9)4-12)7(13)11-8(14)10-2/h5-6H,3-4,9H2,1-2H3,(H2,10,11,13,14).
What are the key properties of 2-(3-aminoazetidin-1-yl)-N-(methylcarbamoyl)propanamide?
2-(3-aminoazetidin-1-yl)-N-(methylcarbamoyl)propanamide has a molecular weight of 200.24 g/mol, XLogP of -1.53, 2 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-(methylcarbamoyl)propanamide is sourced from PubChem (CID 63761122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).