methyl 5-[1-[(2-amino-2-oxoethoxy)amino]ethyl]furan-2-carboxylate

C10H14N2O5 — CID 103263647

IUPACmethyl 5-[1-[(2-amino-2-oxoethoxy)amino]ethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(C(C)NOCC(N)=O)o1
InChIInChI=1S/C10H14N2O5/c1-6(12-16-5-9(11)13)7-3-4-8(17-7)10(14)15-2/h3-4,6,12H,5H2,1-2H3,(H2,11,13)
InChIKeyCAVCFGOQLYBFOS-UHFFFAOYSA-N
MW242.23 g/mol
LogP0.13
Rot. Bonds6

About methyl 5-[1-[(2-amino-2-oxoethoxy)amino]ethyl]furan-2-carboxylate

methyl 5-[1-[(2-amino-2-oxoethoxy)amino]ethyl]furan-2-carboxylate (PubChem CID 103263647) has the molecular formula C10H14N2O5 and a molecular weight of 242.23 g/mol. Its IUPAC name is methyl 5-[1-[(2-amino-2-oxoethoxy)amino]ethyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[1-[(2-amino-2-oxoethoxy)amino]ethyl]furan-2-carboxylate
PubChem CID103263647
Molecular FormulaC10H14N2O5
Molecular Weight242.23 g/mol
Exact Mass242.09
IUPAC Namemethyl 5-[1-[(2-amino-2-oxoethoxy)amino]ethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(C(C)NOCC(N)=O)o1
InChIInChI=1S/C10H14N2O5/c1-6(12-16-5-9(11)13)7-3-4-8(17-7)10(14)15-2/h3-4,6,12H,5H2,1-2H3,(H2,11,13)
InChIKeyCAVCFGOQLYBFOS-UHFFFAOYSA-N
XLogP0.13
TPSA103.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[1-(5-methylfuran-2-yl)ethylamino]oxyacetamide
CID 112672888
methyl 5-(1-chloroethyl)furan-2-carboxylate
CID 43810601
methyl 5-[1-(3-ethylpentan-3-ylamino)ethyl]furan-2-carboxylate
CID 103253848
methyl 5-[1-[(2-amino-2-oxoethyl)-ethylamino]ethyl]furan-2-carboxylate
CID 103102938
methyl 5-[1-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]ethyl]furan-2-carboxylate
CID 103245777
methyl 5-(1-hydroxy-4-methylpentyl)furan-2-carboxylate
CID 106947046
5-[1-(2-methylpropoxyamino)ethyl]furan-2-carboxylic acid
CID 103261589
2-[1-(2,6-dihydroxyphenyl)ethylamino]oxyacetamide
CID 107711218
2-[1-(4-methoxyphenyl)propan-2-ylamino]oxyacetamide
CID 112672774
methyl 5-[1-[(4-carbamoylcyclohexyl)amino]ethyl]furan-2-carboxylate
CID 103242653
methyl 5-[1-(2-ethoxyethylamino)ethyl]furan-2-carboxylate
CID 103230134
methyl 5-[1-(but-3-ynylamino)ethyl]furan-2-carboxylate
CID 103251131

Frequently Asked Questions

What is the IUPAC name of methyl 5-[1-[(2-amino-2-oxoethoxy)amino]ethyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[1-[(2-amino-2-oxoethoxy)amino]ethyl]furan-2-carboxylate (CID 103263647) is methyl 5-[1-[(2-amino-2-oxoethoxy)amino]ethyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[1-[(2-amino-2-oxoethoxy)amino]ethyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[1-[(2-amino-2-oxoethoxy)amino]ethyl]furan-2-carboxylate is COC(=O)c1ccc(C(C)NOCC(N)=O)o1.
What is the InChIKey of methyl 5-[1-[(2-amino-2-oxoethoxy)amino]ethyl]furan-2-carboxylate?
The InChIKey is CAVCFGOQLYBFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O5/c1-6(12-16-5-9(11)13)7-3-4-8(17-7)10(14)15-2/h3-4,6,12H,5H2,1-2H3,(H2,11,13).
What are the key properties of methyl 5-[1-[(2-amino-2-oxoethoxy)amino]ethyl]furan-2-carboxylate?
methyl 5-[1-[(2-amino-2-oxoethoxy)amino]ethyl]furan-2-carboxylate has a molecular weight of 242.23 g/mol, XLogP of 0.13, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[1-[(2-amino-2-oxoethoxy)amino]ethyl]furan-2-carboxylate is sourced from PubChem (CID 103263647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).