5-[1-[carbamoyl(hydroxy)amino]ethyl]furan-2-carboxylic acid

C8H10N2O5 — CID 10656241

IUPAC5-[1-[carbamoyl(hydroxy)amino]ethyl]furan-2-carboxylic acid
SMILESCC(c1ccc(C(=O)O)o1)N(O)C(N)=O
InChIInChI=1S/C8H10N2O5/c1-4(10(14)8(9)13)5-2-3-6(15-5)7(11)12/h2-4,14H,1H3,(H2,9,13)(H,11,12)
InChIKeyVBPUHDZLPJXOPD-UHFFFAOYSA-N
MW214.18 g/mol
LogP0.81
Rot. Bonds3

About 5-[1-[carbamoyl(hydroxy)amino]ethyl]furan-2-carboxylic acid

5-[1-[carbamoyl(hydroxy)amino]ethyl]furan-2-carboxylic acid (PubChem CID 10656241) has the molecular formula C8H10N2O5 and a molecular weight of 214.18 g/mol. Its IUPAC name is 5-[1-[carbamoyl(hydroxy)amino]ethyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[1-[carbamoyl(hydroxy)amino]ethyl]furan-2-carboxylic acid
PubChem CID10656241
Molecular FormulaC8H10N2O5
Molecular Weight214.18 g/mol
Exact Mass214.06
IUPAC Name5-[1-[carbamoyl(hydroxy)amino]ethyl]furan-2-carboxylic acid
SMILESCC(c1ccc(C(=O)O)o1)N(O)C(N)=O
InChIInChI=1S/C8H10N2O5/c1-4(10(14)8(9)13)5-2-3-6(15-5)7(11)12/h2-4,14H,1H3,(H2,9,13)(H,11,12)
InChIKeyVBPUHDZLPJXOPD-UHFFFAOYSA-N
XLogP0.81
TPSA117.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.18
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[carbamoyl(hydroxy)amino]ethyl]furan-2-carboxylic acid?
The IUPAC name of 5-[1-[carbamoyl(hydroxy)amino]ethyl]furan-2-carboxylic acid (CID 10656241) is 5-[1-[carbamoyl(hydroxy)amino]ethyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[1-[carbamoyl(hydroxy)amino]ethyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[1-[carbamoyl(hydroxy)amino]ethyl]furan-2-carboxylic acid is CC(c1ccc(C(=O)O)o1)N(O)C(N)=O.
What is the InChIKey of 5-[1-[carbamoyl(hydroxy)amino]ethyl]furan-2-carboxylic acid?
The InChIKey is VBPUHDZLPJXOPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O5/c1-4(10(14)8(9)13)5-2-3-6(15-5)7(11)12/h2-4,14H,1H3,(H2,9,13)(H,11,12).
What are the key properties of 5-[1-[carbamoyl(hydroxy)amino]ethyl]furan-2-carboxylic acid?
5-[1-[carbamoyl(hydroxy)amino]ethyl]furan-2-carboxylic acid has a molecular weight of 214.18 g/mol, XLogP of 0.81, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[carbamoyl(hydroxy)amino]ethyl]furan-2-carboxylic acid is sourced from PubChem (CID 10656241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).