ethyl 2-[(5-oxo-2H-furan-4-yl)carbamoylamino]acetate

C9H12N2O5 — CID 134094657

IUPACethyl 2-[(5-oxo-2H-furan-4-yl)carbamoylamino]acetate
SMILESCCOC(=O)CNC(=O)NC1=CCOC1=O
InChIInChI=1S/C9H12N2O5/c1-2-15-7(12)5-10-9(14)11-6-3-4-16-8(6)13/h3H,2,4-5H2,1H3,(H2,10,11,14)
InChIKeyXNVFLDLNEBQPSF-UHFFFAOYSA-N
MW228.20 g/mol
LogP-0.71
Rot. Bonds4

About ethyl 2-[(5-oxo-2H-furan-4-yl)carbamoylamino]acetate

ethyl 2-[(5-oxo-2H-furan-4-yl)carbamoylamino]acetate (PubChem CID 134094657) has the molecular formula C9H12N2O5 and a molecular weight of 228.20 g/mol. Its IUPAC name is ethyl 2-[(5-oxo-2H-furan-4-yl)carbamoylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(5-oxo-2H-furan-4-yl)carbamoylamino]acetate
PubChem CID134094657
Molecular FormulaC9H12N2O5
Molecular Weight228.20 g/mol
Exact Mass228.07
IUPAC Nameethyl 2-[(5-oxo-2H-furan-4-yl)carbamoylamino]acetate
SMILESCCOC(=O)CNC(=O)NC1=CCOC1=O
InChIInChI=1S/C9H12N2O5/c1-2-15-7(12)5-10-9(14)11-6-3-4-16-8(6)13/h3H,2,4-5H2,1H3,(H2,10,11,14)
InChIKeyXNVFLDLNEBQPSF-UHFFFAOYSA-N
XLogP-0.71
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.20
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(5-oxo-2H-furan-4-yl)carbamoylamino]acetate?
The IUPAC name of ethyl 2-[(5-oxo-2H-furan-4-yl)carbamoylamino]acetate (CID 134094657) is ethyl 2-[(5-oxo-2H-furan-4-yl)carbamoylamino]acetate.
What is the SMILES notation for ethyl 2-[(5-oxo-2H-furan-4-yl)carbamoylamino]acetate?
The canonical SMILES for ethyl 2-[(5-oxo-2H-furan-4-yl)carbamoylamino]acetate is CCOC(=O)CNC(=O)NC1=CCOC1=O.
What is the InChIKey of ethyl 2-[(5-oxo-2H-furan-4-yl)carbamoylamino]acetate?
The InChIKey is XNVFLDLNEBQPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O5/c1-2-15-7(12)5-10-9(14)11-6-3-4-16-8(6)13/h3H,2,4-5H2,1H3,(H2,10,11,14).
What are the key properties of ethyl 2-[(5-oxo-2H-furan-4-yl)carbamoylamino]acetate?
ethyl 2-[(5-oxo-2H-furan-4-yl)carbamoylamino]acetate has a molecular weight of 228.20 g/mol, XLogP of -0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(5-oxo-2H-furan-4-yl)carbamoylamino]acetate is sourced from PubChem (CID 134094657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).