2-[3-amino-2-[2-(furan-2-yl)ethyl]-4-oxoazetidin-1-yl]acetic acid

C11H14N2O4 — CID 15670708

IUPAC2-[3-amino-2-[2-(furan-2-yl)ethyl]-4-oxoazetidin-1-yl]acetic acid
SMILESNC1C(=O)N(CC(=O)O)C1CCc1ccco1
InChIInChI=1S/C11H14N2O4/c12-10-8(4-3-7-2-1-5-17-7)13(11(10)16)6-9(14)15/h1-2,5,8,10H,3-4,6,12H2,(H,14,15)
InChIKeyUBFXXXUJHVVYHE-UHFFFAOYSA-N
MW238.24 g/mol
LogP-0.17
Rot. Bonds5

About 2-[3-amino-2-[2-(furan-2-yl)ethyl]-4-oxoazetidin-1-yl]acetic acid

2-[3-amino-2-[2-(furan-2-yl)ethyl]-4-oxoazetidin-1-yl]acetic acid (PubChem CID 15670708) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 2-[3-amino-2-[2-(furan-2-yl)ethyl]-4-oxoazetidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-amino-2-[2-(furan-2-yl)ethyl]-4-oxoazetidin-1-yl]acetic acid
PubChem CID15670708
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name2-[3-amino-2-[2-(furan-2-yl)ethyl]-4-oxoazetidin-1-yl]acetic acid
SMILESNC1C(=O)N(CC(=O)O)C1CCc1ccco1
InChIInChI=1S/C11H14N2O4/c12-10-8(4-3-7-2-1-5-17-7)13(11(10)16)6-9(14)15/h1-2,5,8,10H,3-4,6,12H2,(H,14,15)
InChIKeyUBFXXXUJHVVYHE-UHFFFAOYSA-N
XLogP-0.17
TPSA96.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2R)-2-[2-(furan-2-yl)ethyl]-4-oxoazetidin-1-yl]acetic acid
CID 59093591
2-[3-amino-2-[2-(furan-2-yl)ethyl]-4-oxoazetidin-1-yl]-2-methoxyacetaldehyde
CID 57290039
methyl 2-[(2R,3S)-2-[2-(furan-2-yl)ethyl]-4-oxo-3-[(2-phenylacetyl)amino]azetidin-1-yl]acetate
CID 15670703
3-[1-benzyl-2-[2-(furan-2-yl)ethyl]-4-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 14314974
2-[5-(furan-2-ylmethylcarbamoyl)pyrazol-1-yl]acetic acid
CID 19482452
1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-3-(furan-2-yl)propan-1-one
CID 61236291
2-(2-methylpropyl)furan;propanoic acid
CID 158583493
(2R)-4-(furan-2-yl)-2-hydroxybutanoic acid
CID 141032870
methyl 2-[2-[2-(furan-2-yl)ethyl]-4-oxo-3-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]azetidin-1-yl]-5-hydroxy-4,4-dimethylpentanoate
CID 70072667
2-[(2S,5R)-2-amino-3-oxo-5-phenylmorpholin-4-yl]acetic acid
CID 163946363
3-[3-(furan-2-ylmethyl)-2-oxo-1,3-oxazinan-6-yl]propanoic acid
CID 117011105
(3S)-3-amino-4-(furan-2-yl)butanoic acid
CID 2761693

Frequently Asked Questions

What is the IUPAC name of 2-[3-amino-2-[2-(furan-2-yl)ethyl]-4-oxoazetidin-1-yl]acetic acid?
The IUPAC name of 2-[3-amino-2-[2-(furan-2-yl)ethyl]-4-oxoazetidin-1-yl]acetic acid (CID 15670708) is 2-[3-amino-2-[2-(furan-2-yl)ethyl]-4-oxoazetidin-1-yl]acetic acid.
What is the SMILES notation for 2-[3-amino-2-[2-(furan-2-yl)ethyl]-4-oxoazetidin-1-yl]acetic acid?
The canonical SMILES for 2-[3-amino-2-[2-(furan-2-yl)ethyl]-4-oxoazetidin-1-yl]acetic acid is NC1C(=O)N(CC(=O)O)C1CCc1ccco1.
What is the InChIKey of 2-[3-amino-2-[2-(furan-2-yl)ethyl]-4-oxoazetidin-1-yl]acetic acid?
The InChIKey is UBFXXXUJHVVYHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c12-10-8(4-3-7-2-1-5-17-7)13(11(10)16)6-9(14)15/h1-2,5,8,10H,3-4,6,12H2,(H,14,15).
What are the key properties of 2-[3-amino-2-[2-(furan-2-yl)ethyl]-4-oxoazetidin-1-yl]acetic acid?
2-[3-amino-2-[2-(furan-2-yl)ethyl]-4-oxoazetidin-1-yl]acetic acid has a molecular weight of 238.24 g/mol, XLogP of -0.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-amino-2-[2-(furan-2-yl)ethyl]-4-oxoazetidin-1-yl]acetic acid is sourced from PubChem (CID 15670708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).