[2-(3-fluoroazetidin-1-yl)-2-oxoethyl]urea

C6H10FN3O2 — CID 126989063

IUPAC[2-(3-fluoroazetidin-1-yl)-2-oxoethyl]urea
SMILESNC(=O)NCC(=O)N1CC(F)C1
InChIInChI=1S/C6H10FN3O2/c7-4-2-10(3-4)5(11)1-9-6(8)12/h4H,1-3H2,(H3,8,9,12)
InChIKeyNRTGAIMWCLPCTP-UHFFFAOYSA-N
MW175.16 g/mol
LogP-1.16
Rot. Bonds2

About [2-(3-fluoroazetidin-1-yl)-2-oxoethyl]urea

[2-(3-fluoroazetidin-1-yl)-2-oxoethyl]urea (PubChem CID 126989063) has the molecular formula C6H10FN3O2 and a molecular weight of 175.16 g/mol. Its IUPAC name is [2-(3-fluoroazetidin-1-yl)-2-oxoethyl]urea.

Molecular Properties

Compound Name[2-(3-fluoroazetidin-1-yl)-2-oxoethyl]urea
PubChem CID126989063
Molecular FormulaC6H10FN3O2
Molecular Weight175.16 g/mol
Exact Mass175.08
IUPAC Name[2-(3-fluoroazetidin-1-yl)-2-oxoethyl]urea
SMILESNC(=O)NCC(=O)N1CC(F)C1
InChIInChI=1S/C6H10FN3O2/c7-4-2-10(3-4)5(11)1-9-6(8)12/h4H,1-3H2,(H3,8,9,12)
InChIKeyNRTGAIMWCLPCTP-UHFFFAOYSA-N
XLogP-1.16
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.16
LogP ≤ 5-1.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[(1S,5S)-3-azabicyclo[3.3.1]nonan-3-yl]-2-oxoethyl]urea
CID 131915772
[2-(3,6-dihydro-2H-pyridin-1-yl)-2-oxoethyl]urea
CID 130608897
[2-(4-methylpiperazin-1-yl)-2-oxoethyl]urea
CID 127518835
[2-[3-(2-ethylphenoxy)azetidin-1-yl]-2-oxoethyl]urea
CID 72866935
1-[(3S)-3-fluoropyrrolidin-1-yl]-2-(methylamino)ethanone
CID 129494766
2-amino-N-[2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-2-oxoethyl]acetamide
CID 107220699
1-(3-fluoropyrrolidin-1-yl)-2-(methylamino)ethanone
CID 121200892
[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]urea
CID 9081569
[2-oxo-2-[4-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethyl]urea
CID 96578533
[2-(3-aminopyrrolidin-1-yl)-2-oxoethyl]carbamic acid
CID 146225835
[2-[(3S)-3-aminopyrrolidin-1-yl]-2-oxoethyl]carbamic acid
CID 135240082
2-amino-N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]acetamide
CID 60847225

Frequently Asked Questions

What is the IUPAC name of [2-(3-fluoroazetidin-1-yl)-2-oxoethyl]urea?
The IUPAC name of [2-(3-fluoroazetidin-1-yl)-2-oxoethyl]urea (CID 126989063) is [2-(3-fluoroazetidin-1-yl)-2-oxoethyl]urea.
What is the SMILES notation for [2-(3-fluoroazetidin-1-yl)-2-oxoethyl]urea?
The canonical SMILES for [2-(3-fluoroazetidin-1-yl)-2-oxoethyl]urea is NC(=O)NCC(=O)N1CC(F)C1.
What is the InChIKey of [2-(3-fluoroazetidin-1-yl)-2-oxoethyl]urea?
The InChIKey is NRTGAIMWCLPCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FN3O2/c7-4-2-10(3-4)5(11)1-9-6(8)12/h4H,1-3H2,(H3,8,9,12).
What are the key properties of [2-(3-fluoroazetidin-1-yl)-2-oxoethyl]urea?
[2-(3-fluoroazetidin-1-yl)-2-oxoethyl]urea has a molecular weight of 175.16 g/mol, XLogP of -1.16, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluoroazetidin-1-yl)-2-oxoethyl]urea is sourced from PubChem (CID 126989063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).