4-(aminomethyl)furan-2-carboxylic acid

C6H7NO3 — CID 56930863

IUPAC4-(aminomethyl)furan-2-carboxylic acid
SMILESNCc1coc(C(=O)O)c1
InChIInChI=1S/C6H7NO3/c7-2-4-1-5(6(8)9)10-3-4/h1,3H,2,7H2,(H,8,9)
InChIKeyXTLFZCYHCYCMLT-UHFFFAOYSA-N
MW141.13 g/mol
LogP0.44
Rot. Bonds2

About 4-(aminomethyl)furan-2-carboxylic acid

4-(aminomethyl)furan-2-carboxylic acid (PubChem CID 56930863) has the molecular formula C6H7NO3 and a molecular weight of 141.13 g/mol. Its IUPAC name is 4-(aminomethyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name4-(aminomethyl)furan-2-carboxylic acid
PubChem CID56930863
Molecular FormulaC6H7NO3
Molecular Weight141.13 g/mol
Exact Mass141.04
IUPAC Name4-(aminomethyl)furan-2-carboxylic acid
SMILESNCc1coc(C(=O)O)c1
InChIInChI=1S/C6H7NO3/c7-2-4-1-5(6(8)9)10-3-4/h1,3H,2,7H2,(H,8,9)
InChIKeyXTLFZCYHCYCMLT-UHFFFAOYSA-N
XLogP0.44
TPSA76.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)furan-2-carboxylic acid?
The IUPAC name of 4-(aminomethyl)furan-2-carboxylic acid (CID 56930863) is 4-(aminomethyl)furan-2-carboxylic acid.
What is the SMILES notation for 4-(aminomethyl)furan-2-carboxylic acid?
The canonical SMILES for 4-(aminomethyl)furan-2-carboxylic acid is NCc1coc(C(=O)O)c1.
What is the InChIKey of 4-(aminomethyl)furan-2-carboxylic acid?
The InChIKey is XTLFZCYHCYCMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO3/c7-2-4-1-5(6(8)9)10-3-4/h1,3H,2,7H2,(H,8,9).
What are the key properties of 4-(aminomethyl)furan-2-carboxylic acid?
4-(aminomethyl)furan-2-carboxylic acid has a molecular weight of 141.13 g/mol, XLogP of 0.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)furan-2-carboxylic acid is sourced from PubChem (CID 56930863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).