2-[(2R)-2-[2-(furan-2-yl)ethyl]-4-oxoazetidin-1-yl]acetic acid

C11H13NO4 — CID 59093591

IUPAC2-[(2R)-2-[2-(furan-2-yl)ethyl]-4-oxoazetidin-1-yl]acetic acid
SMILESO=C(O)CN1C(=O)C[C@H]1CCc1ccco1
InChIInChI=1S/C11H13NO4/c13-10-6-8(12(10)7-11(14)15)3-4-9-2-1-5-16-9/h1-2,5,8H,3-4,6-7H2,(H,14,15)/t8-/m1/s1
InChIKeyHBCDQABMRRMJJD-MRVPVSSYSA-N
MW223.23 g/mol
LogP0.90
Rot. Bonds5

About 2-[(2R)-2-[2-(furan-2-yl)ethyl]-4-oxoazetidin-1-yl]acetic acid

2-[(2R)-2-[2-(furan-2-yl)ethyl]-4-oxoazetidin-1-yl]acetic acid (PubChem CID 59093591) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is 2-[(2R)-2-[2-(furan-2-yl)ethyl]-4-oxoazetidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[(2R)-2-[2-(furan-2-yl)ethyl]-4-oxoazetidin-1-yl]acetic acid
PubChem CID59093591
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Name2-[(2R)-2-[2-(furan-2-yl)ethyl]-4-oxoazetidin-1-yl]acetic acid
SMILESO=C(O)CN1C(=O)C[C@H]1CCc1ccco1
InChIInChI=1S/C11H13NO4/c13-10-6-8(12(10)7-11(14)15)3-4-9-2-1-5-16-9/h1-2,5,8H,3-4,6-7H2,(H,14,15)/t8-/m1/s1
InChIKeyHBCDQABMRRMJJD-MRVPVSSYSA-N
XLogP0.90
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-amino-2-[2-(furan-2-yl)ethyl]-4-oxoazetidin-1-yl]acetic acid
CID 15670708
2-[(2S)-2-[(E)-2-(furan-2-yl)ethenyl]-4-oxoazetidin-1-yl]acetic acid
CID 59093586
2-[3-(furan-2-ylmethyl)-2-oxo-1,3-oxazinan-4-yl]acetic acid
CID 117011250
4-(aminomethyl)-1-(furan-2-ylmethyl)-5-methylpyrrolidin-2-one
CID 117022057
methyl 2-[(2R,3S)-2-[2-(furan-2-yl)ethyl]-4-oxo-3-[(2-phenylacetyl)amino]azetidin-1-yl]acetate
CID 15670703
1-(furan-2-ylmethyl)-6-oxopiperidine-2-carboxylic acid
CID 117003684
2-[3-(furan-2-yl)propanoyl-methylamino]acetic acid
CID 28778124
1-cyclobutyl-3-(furan-2-yl)propan-1-one
CID 105133720
N-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-3-(furan-2-yl)propanamide
CID 95316735
2-[4-[3-(furan-2-yl)propanoyl]thiomorpholin-3-yl]acetic acid
CID 66443081
1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl chloride
CID 50873925
3-[(2R)-1-[(3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]piperidin-2-yl]propanoic acid
CID 124701269

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-[2-(furan-2-yl)ethyl]-4-oxoazetidin-1-yl]acetic acid?
The IUPAC name of 2-[(2R)-2-[2-(furan-2-yl)ethyl]-4-oxoazetidin-1-yl]acetic acid (CID 59093591) is 2-[(2R)-2-[2-(furan-2-yl)ethyl]-4-oxoazetidin-1-yl]acetic acid.
What is the SMILES notation for 2-[(2R)-2-[2-(furan-2-yl)ethyl]-4-oxoazetidin-1-yl]acetic acid?
The canonical SMILES for 2-[(2R)-2-[2-(furan-2-yl)ethyl]-4-oxoazetidin-1-yl]acetic acid is O=C(O)CN1C(=O)C[C@H]1CCc1ccco1.
What is the InChIKey of 2-[(2R)-2-[2-(furan-2-yl)ethyl]-4-oxoazetidin-1-yl]acetic acid?
The InChIKey is HBCDQABMRRMJJD-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H13NO4/c13-10-6-8(12(10)7-11(14)15)3-4-9-2-1-5-16-9/h1-2,5,8H,3-4,6-7H2,(H,14,15)/t8-/m1/s1.
What are the key properties of 2-[(2R)-2-[2-(furan-2-yl)ethyl]-4-oxoazetidin-1-yl]acetic acid?
2-[(2R)-2-[2-(furan-2-yl)ethyl]-4-oxoazetidin-1-yl]acetic acid has a molecular weight of 223.23 g/mol, XLogP of 0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-[2-(furan-2-yl)ethyl]-4-oxoazetidin-1-yl]acetic acid is sourced from PubChem (CID 59093591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).