2-[1-(benzylcarbamoyl)-4-oxoazetidin-2-yl]acetic acid

C13H14N2O4 — CID 162655936

IUPAC2-[1-(benzylcarbamoyl)-4-oxoazetidin-2-yl]acetic acid
SMILESO=C(O)CC1CC(=O)N1C(=O)NCc1ccccc1
InChIInChI=1S/C13H14N2O4/c16-11-6-10(7-12(17)18)15(11)13(19)14-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,14,19)(H,17,18)
InChIKeyXTNLRPMBRFOVIZ-UHFFFAOYSA-N
MW262.26 g/mol
LogP0.97
Rot. Bonds4

About 2-[1-(benzylcarbamoyl)-4-oxoazetidin-2-yl]acetic acid

2-[1-(benzylcarbamoyl)-4-oxoazetidin-2-yl]acetic acid (PubChem CID 162655936) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is 2-[1-(benzylcarbamoyl)-4-oxoazetidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(benzylcarbamoyl)-4-oxoazetidin-2-yl]acetic acid
PubChem CID162655936
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC Name2-[1-(benzylcarbamoyl)-4-oxoazetidin-2-yl]acetic acid
SMILESO=C(O)CC1CC(=O)N1C(=O)NCc1ccccc1
InChIInChI=1S/C13H14N2O4/c16-11-6-10(7-12(17)18)15(11)13(19)14-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,14,19)(H,17,18)
InChIKeyXTNLRPMBRFOVIZ-UHFFFAOYSA-N
XLogP0.97
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(4-Aminophenyl)methylcarbamoyl]-4-oxoazetidin-2-yl]acetic acid;2,2,2-trifluoroacetic acid
CID 162673161
Integrin modulator 1
CID 154734317
N-Benzylglutaramic acid
CID 3605536
1-Benzylcarbamoyl-piperidine-3-carboxylic acid
CID 652544
3-(1-Benzyl-2,5-dioxoimidazolidin-4-yl)propanoic acid
CID 45598718
N2-[(benzylamino)carbonyl]-L-glutamine
CID 61181145
5-[(4-Fluorophenyl)methylcarbamoylamino]-5-oxopentanoic acid
CID 28931828
5-[(2-Fluorophenyl)methylcarbamoylamino]-5-oxopentanoic acid
CID 28931848
5-[[(3-Fluorophenyl)methyl-methylcarbamoyl]amino]-5-oxopentanoic acid
CID 28931995
5-[(3-Fluorophenyl)methylcarbamoylamino]-5-oxopentanoic acid
CID 28970947
5-[[(2-Fluorophenyl)methyl-methylcarbamoyl]amino]-5-oxopentanoic acid
CID 61412281
5-[[(4-Fluorophenyl)methyl-methylcarbamoyl]amino]-5-oxopentanoic acid
CID 61413324

Frequently Asked Questions

What is the IUPAC name of 2-[1-(benzylcarbamoyl)-4-oxoazetidin-2-yl]acetic acid?
The IUPAC name of 2-[1-(benzylcarbamoyl)-4-oxoazetidin-2-yl]acetic acid (CID 162655936) is 2-[1-(benzylcarbamoyl)-4-oxoazetidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(benzylcarbamoyl)-4-oxoazetidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(benzylcarbamoyl)-4-oxoazetidin-2-yl]acetic acid is O=C(O)CC1CC(=O)N1C(=O)NCc1ccccc1.
What is the InChIKey of 2-[1-(benzylcarbamoyl)-4-oxoazetidin-2-yl]acetic acid?
The InChIKey is XTNLRPMBRFOVIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c16-11-6-10(7-12(17)18)15(11)13(19)14-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,14,19)(H,17,18).
What are the key properties of 2-[1-(benzylcarbamoyl)-4-oxoazetidin-2-yl]acetic acid?
2-[1-(benzylcarbamoyl)-4-oxoazetidin-2-yl]acetic acid has a molecular weight of 262.26 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(benzylcarbamoyl)-4-oxoazetidin-2-yl]acetic acid is sourced from PubChem (CID 162655936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).