2-[(5-nitrofuran-2-carbonyl)amino]acetic acid

C7H6N2O6 — CID 2079408

IUPAC2-[(5-nitrofuran-2-carbonyl)amino]acetic acid
SMILESO=C(O)CNC(=O)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C7H6N2O6/c10-6(11)3-8-7(12)4-1-2-5(15-4)9(13)14/h1-2H,3H2,(H,8,12)(H,10,11)
InChIKeyUOFUMXXXRWUIMT-UHFFFAOYSA-N
MW214.13 g/mol
LogP0.00
Rot. Bonds4

About 2-[(5-nitrofuran-2-carbonyl)amino]acetic acid

2-[(5-nitrofuran-2-carbonyl)amino]acetic acid (PubChem CID 2079408) has the molecular formula C7H6N2O6 and a molecular weight of 214.13 g/mol. Its IUPAC name is 2-[(5-nitrofuran-2-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(5-nitrofuran-2-carbonyl)amino]acetic acid
PubChem CID2079408
Molecular FormulaC7H6N2O6
Molecular Weight214.13 g/mol
Exact Mass214.02
IUPAC Name2-[(5-nitrofuran-2-carbonyl)amino]acetic acid
SMILESO=C(O)CNC(=O)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C7H6N2O6/c10-6(11)3-8-7(12)4-1-2-5(15-4)9(13)14/h1-2H,3H2,(H,8,12)(H,10,11)
InChIKeyUOFUMXXXRWUIMT-UHFFFAOYSA-N
XLogP0.00
TPSA122.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.13
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloroethyl)-5-nitrofuran-2-carboxamide
CID 114294133
N-[2-(methylamino)ethyl]-5-nitrofuran-2-carboxamide
CID 62658342
N-[(4-chlorophenyl)methyl]-5-nitrofuran-2-carboxamide
CID 17146050
N-(3-aminopropyl)-5-nitrofuran-2-carboxamide
CID 24697621
2-hydroxy-4-[(5-nitrofuran-2-carbonyl)amino]butanoic acid
CID 114006197
N-(6-hydroxyhexyl)-5-nitrofuran-2-carboxamide
CID 103919565
5-nitro-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]furan-2-carboxamide
CID 26713870
5-nitro-N-(2-sulfamoylethyl)furan-2-carboxamide
CID 61129714
N-(5-bromopentyl)-5-nitrofuran-2-carboxamide
CID 107321741
4-[[(5-nitrofuran-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79525902
N-[(2-bromophenyl)methyl]-5-nitrofuran-2-carboxamide
CID 17146681
5-nitrofuran-2-carboxylic acid;hydrochloride
CID 67281310

Frequently Asked Questions

What is the IUPAC name of 2-[(5-nitrofuran-2-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(5-nitrofuran-2-carbonyl)amino]acetic acid (CID 2079408) is 2-[(5-nitrofuran-2-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(5-nitrofuran-2-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(5-nitrofuran-2-carbonyl)amino]acetic acid is O=C(O)CNC(=O)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of 2-[(5-nitrofuran-2-carbonyl)amino]acetic acid?
The InChIKey is UOFUMXXXRWUIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O6/c10-6(11)3-8-7(12)4-1-2-5(15-4)9(13)14/h1-2H,3H2,(H,8,12)(H,10,11).
What are the key properties of 2-[(5-nitrofuran-2-carbonyl)amino]acetic acid?
2-[(5-nitrofuran-2-carbonyl)amino]acetic acid has a molecular weight of 214.13 g/mol, XLogP of 0.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-nitrofuran-2-carbonyl)amino]acetic acid is sourced from PubChem (CID 2079408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).