2-[(2S)-2-[(E)-2-(furan-2-yl)ethenyl]-4-oxoazetidin-1-yl]acetic acid

C11H11NO4 — CID 59093586

IUPAC2-[(2S)-2-[(E)-2-(furan-2-yl)ethenyl]-4-oxoazetidin-1-yl]acetic acid
SMILESO=C(O)CN1C(=O)C[C@H]1/C=C/c1ccco1
InChIInChI=1S/C11H11NO4/c13-10-6-8(12(10)7-11(14)15)3-4-9-2-1-5-16-9/h1-5,8H,6-7H2,(H,14,15)/b4-3+/t8-/m1/s1
InChIKeyVQLGVFZSIWGDQM-MPJRPATESA-N
MW221.21 g/mol
LogP0.98
Rot. Bonds4

About 2-[(2S)-2-[(E)-2-(furan-2-yl)ethenyl]-4-oxoazetidin-1-yl]acetic acid

2-[(2S)-2-[(E)-2-(furan-2-yl)ethenyl]-4-oxoazetidin-1-yl]acetic acid (PubChem CID 59093586) has the molecular formula C11H11NO4 and a molecular weight of 221.21 g/mol. Its IUPAC name is 2-[(2S)-2-[(E)-2-(furan-2-yl)ethenyl]-4-oxoazetidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[(2S)-2-[(E)-2-(furan-2-yl)ethenyl]-4-oxoazetidin-1-yl]acetic acid
PubChem CID59093586
Molecular FormulaC11H11NO4
Molecular Weight221.21 g/mol
Exact Mass221.07
IUPAC Name2-[(2S)-2-[(E)-2-(furan-2-yl)ethenyl]-4-oxoazetidin-1-yl]acetic acid
SMILESO=C(O)CN1C(=O)C[C@H]1/C=C/c1ccco1
InChIInChI=1S/C11H11NO4/c13-10-6-8(12(10)7-11(14)15)3-4-9-2-1-5-16-9/h1-5,8H,6-7H2,(H,14,15)/b4-3+/t8-/m1/s1
InChIKeyVQLGVFZSIWGDQM-MPJRPATESA-N
XLogP0.98
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-1-benzyl-4-[2-(furan-2-yl)ethenyl]azetidin-2-one
CID 174261033
2-[(2R)-2-[2-(furan-2-yl)ethyl]-4-oxoazetidin-1-yl]acetic acid
CID 59093591
2-[4-[(E)-3-(furan-2-yl)prop-2-enoyl]piperazin-1-yl]acetic acid
CID 43521483
(5S)-5-[(Z)-2-(furan-2-yl)ethenyl]pyrrolidin-2-one
CID 131234360
3-(furan-2-yl)prop-2-enoic acid
CID 159116571
3-(furan-2-yl)prop-2-enoyl chloride
CID 53411285
(E)-3-amino-5-(furan-2-yl)pent-4-enoic acid
CID 55255644
(E)-N-[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]-3-(furan-2-yl)prop-2-enamide
CID 95594085
(1S,4S)-5-[(E)-3-(furan-2-yl)prop-2-enoyl]-2-oxa-5-azabicyclo[2.2.1]heptan-3-one
CID 95985273
2-[2-[5-[2-(furan-2-yl)ethenyl]oxolan-2-yl]ethenyl]furan
CID 123596794
1-[[1-[3-(furan-2-yl)prop-2-enoyl]azetidin-3-yl]methyl]pyrrolidine-2,5-dione
CID 171137197
2-[1-[3-(furan-2-yl)prop-2-enoyl]pyrrolidin-3-yl]acetic acid
CID 77104443

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-[(E)-2-(furan-2-yl)ethenyl]-4-oxoazetidin-1-yl]acetic acid?
The IUPAC name of 2-[(2S)-2-[(E)-2-(furan-2-yl)ethenyl]-4-oxoazetidin-1-yl]acetic acid (CID 59093586) is 2-[(2S)-2-[(E)-2-(furan-2-yl)ethenyl]-4-oxoazetidin-1-yl]acetic acid.
What is the SMILES notation for 2-[(2S)-2-[(E)-2-(furan-2-yl)ethenyl]-4-oxoazetidin-1-yl]acetic acid?
The canonical SMILES for 2-[(2S)-2-[(E)-2-(furan-2-yl)ethenyl]-4-oxoazetidin-1-yl]acetic acid is O=C(O)CN1C(=O)C[C@H]1/C=C/c1ccco1.
What is the InChIKey of 2-[(2S)-2-[(E)-2-(furan-2-yl)ethenyl]-4-oxoazetidin-1-yl]acetic acid?
The InChIKey is VQLGVFZSIWGDQM-MPJRPATESA-N. The full InChI is InChI=1S/C11H11NO4/c13-10-6-8(12(10)7-11(14)15)3-4-9-2-1-5-16-9/h1-5,8H,6-7H2,(H,14,15)/b4-3+/t8-/m1/s1.
What are the key properties of 2-[(2S)-2-[(E)-2-(furan-2-yl)ethenyl]-4-oxoazetidin-1-yl]acetic acid?
2-[(2S)-2-[(E)-2-(furan-2-yl)ethenyl]-4-oxoazetidin-1-yl]acetic acid has a molecular weight of 221.21 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-[(E)-2-(furan-2-yl)ethenyl]-4-oxoazetidin-1-yl]acetic acid is sourced from PubChem (CID 59093586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).