methyl 5-aminofuran-2-carboxylate

C6H7NO3 — CID 5072225

IUPACmethyl 5-aminofuran-2-carboxylate
SMILESCOC(=O)c1ccc(N)o1
InChIInChI=1S/C6H7NO3/c1-9-6(8)4-2-3-5(7)10-4/h2-3H,7H2,1H3
InChIKeyKLKQGSISBRVCTK-UHFFFAOYSA-N
MW141.13 g/mol
LogP0.65
Rot. Bonds1

About methyl 5-aminofuran-2-carboxylate

methyl 5-aminofuran-2-carboxylate (PubChem CID 5072225) has the molecular formula C6H7NO3 and a molecular weight of 141.13 g/mol. Its IUPAC name is methyl 5-aminofuran-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-aminofuran-2-carboxylate
PubChem CID5072225
Molecular FormulaC6H7NO3
Molecular Weight141.13 g/mol
Exact Mass141.04
IUPAC Namemethyl 5-aminofuran-2-carboxylate
SMILESCOC(=O)c1ccc(N)o1
InChIInChI=1S/C6H7NO3/c1-9-6(8)4-2-3-5(7)10-4/h2-3H,7H2,1H3
InChIKeyKLKQGSISBRVCTK-UHFFFAOYSA-N
XLogP0.65
TPSA65.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 5-nitro-2-furoate
CID 94882
2-(Methoxymethyl)-5-nitrofuran
CID 11469
Ethyl 5-nitro-2-furoate
CID 70341
5-Nitrofurfuryl acetate
CID 79412
2-Furancarboxylic acid, 5-nitro-, propyl ester
CID 29906
Acetamide, N-(2-methoxycarbonylfuryl)-
CID 35757
Methyl 5-[(cyclopropylcarbonyl)amino]-2-furoate
CID 2767879
2-Furanmethanol, 5-nitro-, 2-propanoate
CID 91386
Methyl 5-[(phenylsulfonyl)amino]-2-furoate
CID 2767874
Acetonyl 5-nitrofuran-2-carboxylate
CID 53325352
Ethyl 5-acetamido-2-furoate
CID 101243
3,3-Dimethyl-2-oxobutyl 5-nitrofuran-2-carboxylate
CID 2406803

Frequently Asked Questions

What is the IUPAC name of methyl 5-aminofuran-2-carboxylate?
The IUPAC name of methyl 5-aminofuran-2-carboxylate (CID 5072225) is methyl 5-aminofuran-2-carboxylate.
What is the SMILES notation for methyl 5-aminofuran-2-carboxylate?
The canonical SMILES for methyl 5-aminofuran-2-carboxylate is COC(=O)c1ccc(N)o1.
What is the InChIKey of methyl 5-aminofuran-2-carboxylate?
The InChIKey is KLKQGSISBRVCTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO3/c1-9-6(8)4-2-3-5(7)10-4/h2-3H,7H2,1H3.
What are the key properties of methyl 5-aminofuran-2-carboxylate?
methyl 5-aminofuran-2-carboxylate has a molecular weight of 141.13 g/mol, XLogP of 0.65, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-aminofuran-2-carboxylate is sourced from PubChem (CID 5072225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).