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

C12H16N2O4 — CID 57290039

IUPAC2-[3-amino-2-[2-(furan-2-yl)ethyl]-4-oxoazetidin-1-yl]-2-methoxyacetaldehyde
SMILESCOC(C=O)N1C(=O)C(N)C1CCc1ccco1
InChIInChI=1S/C12H16N2O4/c1-17-10(7-15)14-9(11(13)12(14)16)5-4-8-3-2-6-18-8/h2-3,6-7,9-11H,4-5,13H2,1H3
InChIKeyPGMVQKLVYNXWTP-UHFFFAOYSA-N
MW252.27 g/mol
LogP-0.08
Rot. Bonds6

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

2-[3-amino-2-[2-(furan-2-yl)ethyl]-4-oxoazetidin-1-yl]-2-methoxyacetaldehyde (PubChem CID 57290039) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-[3-amino-2-[2-(furan-2-yl)ethyl]-4-oxoazetidin-1-yl]-2-methoxyacetaldehyde.

Molecular Properties

Compound Name2-[3-amino-2-[2-(furan-2-yl)ethyl]-4-oxoazetidin-1-yl]-2-methoxyacetaldehyde
PubChem CID57290039
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name2-[3-amino-2-[2-(furan-2-yl)ethyl]-4-oxoazetidin-1-yl]-2-methoxyacetaldehyde
SMILESCOC(C=O)N1C(=O)C(N)C1CCc1ccco1
InChIInChI=1S/C12H16N2O4/c1-17-10(7-15)14-9(11(13)12(14)16)5-4-8-3-2-6-18-8/h2-3,6-7,9-11H,4-5,13H2,1H3
InChIKeyPGMVQKLVYNXWTP-UHFFFAOYSA-N
XLogP-0.08
TPSA85.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-[3-amino-2-[2-(furan-2-yl)ethyl]-4-oxoazetidin-1-yl]acetic acid
CID 15670708
methyl 2-[(2R,3S)-2-[2-(furan-2-yl)ethyl]-4-oxo-3-[(2-phenylacetyl)amino]azetidin-1-yl]acetate
CID 15670703
N-[2-(furan-2-yl)ethyl]-2,2-dimethoxyethanamine
CID 63684806
2-(2-methoxyethyl)furan
CID 19010334
ethane;2-(3-methoxypropyl)furan
CID 144595726
5-(furan-2-ylmethyl)-1-propan-2-ylpyrrole-2-carbaldehyde
CID 100793801
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
1-[4-(furan-2-yl)butan-2-yl]-3-propylpiperazine-2,5-dione
CID 64966621
1-[2-(furan-2-yl)ethyl]-3-methylpiperazine-2,5-dione
CID 64964752
1-[2-(furan-2-yl)ethyl]-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione
CID 64964778
methyl N-[3-(furan-2-yl)propoxy]carbamate
CID 110315779
4-(furan-2-yl)butanal
CID 14455558

Frequently Asked Questions

What is the IUPAC name of 2-[3-amino-2-[2-(furan-2-yl)ethyl]-4-oxoazetidin-1-yl]-2-methoxyacetaldehyde?
The IUPAC name of 2-[3-amino-2-[2-(furan-2-yl)ethyl]-4-oxoazetidin-1-yl]-2-methoxyacetaldehyde (CID 57290039) is 2-[3-amino-2-[2-(furan-2-yl)ethyl]-4-oxoazetidin-1-yl]-2-methoxyacetaldehyde.
What is the SMILES notation for 2-[3-amino-2-[2-(furan-2-yl)ethyl]-4-oxoazetidin-1-yl]-2-methoxyacetaldehyde?
The canonical SMILES for 2-[3-amino-2-[2-(furan-2-yl)ethyl]-4-oxoazetidin-1-yl]-2-methoxyacetaldehyde is COC(C=O)N1C(=O)C(N)C1CCc1ccco1.
What is the InChIKey of 2-[3-amino-2-[2-(furan-2-yl)ethyl]-4-oxoazetidin-1-yl]-2-methoxyacetaldehyde?
The InChIKey is PGMVQKLVYNXWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-17-10(7-15)14-9(11(13)12(14)16)5-4-8-3-2-6-18-8/h2-3,6-7,9-11H,4-5,13H2,1H3.
What are the key properties of 2-[3-amino-2-[2-(furan-2-yl)ethyl]-4-oxoazetidin-1-yl]-2-methoxyacetaldehyde?
2-[3-amino-2-[2-(furan-2-yl)ethyl]-4-oxoazetidin-1-yl]-2-methoxyacetaldehyde has a molecular weight of 252.27 g/mol, XLogP of -0.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 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]-2-methoxyacetaldehyde is sourced from PubChem (CID 57290039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).