5-(aminomethyl)furan-3-carboxylic acid

C6H7NO3 — CID 715173

IUPAC5-(aminomethyl)furan-3-carboxylic acid
SMILESNCc1cc(C(=O)O)co1
InChIInChI=1S/C6H7NO3/c7-2-5-1-4(3-10-5)6(8)9/h1,3H,2,7H2,(H,8,9)
InChIKeyMNWQPEURCPVLIB-UHFFFAOYSA-N
MW141.13 g/mol
LogP0.44
Rot. Bonds2

About 5-(aminomethyl)furan-3-carboxylic acid

5-(aminomethyl)furan-3-carboxylic acid (PubChem CID 715173) has the molecular formula C6H7NO3 and a molecular weight of 141.13 g/mol. Its IUPAC name is 5-(aminomethyl)furan-3-carboxylic acid.

Molecular Properties

Compound Name5-(aminomethyl)furan-3-carboxylic acid
PubChem CID715173
Molecular FormulaC6H7NO3
Molecular Weight141.13 g/mol
Exact Mass141.04
IUPAC Name5-(aminomethyl)furan-3-carboxylic acid
SMILESNCc1cc(C(=O)O)co1
InChIInChI=1S/C6H7NO3/c7-2-5-1-4(3-10-5)6(8)9/h1,3H,2,7H2,(H,8,9)
InChIKeyMNWQPEURCPVLIB-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 5-(aminomethyl)furan-3-carboxylic acid?
The IUPAC name of 5-(aminomethyl)furan-3-carboxylic acid (CID 715173) is 5-(aminomethyl)furan-3-carboxylic acid.
What is the SMILES notation for 5-(aminomethyl)furan-3-carboxylic acid?
The canonical SMILES for 5-(aminomethyl)furan-3-carboxylic acid is NCc1cc(C(=O)O)co1.
What is the InChIKey of 5-(aminomethyl)furan-3-carboxylic acid?
The InChIKey is MNWQPEURCPVLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO3/c7-2-5-1-4(3-10-5)6(8)9/h1,3H,2,7H2,(H,8,9).
What are the key properties of 5-(aminomethyl)furan-3-carboxylic acid?
5-(aminomethyl)furan-3-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 5-(aminomethyl)furan-3-carboxylic acid is sourced from PubChem (CID 715173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).