3-(aminomethyl)furan-2-carboxylic acid

C6H7NO3 — CID 715166

IUPAC3-(aminomethyl)furan-2-carboxylic acid
SMILESNCc1ccoc1C(=O)O
InChIInChI=1S/C6H7NO3/c7-3-4-1-2-10-5(4)6(8)9/h1-2H,3,7H2,(H,8,9)
InChIKeyBJDBDPLJQFTEKJ-UHFFFAOYSA-N
MW141.13 g/mol
LogP0.44
Rot. Bonds2

About 3-(aminomethyl)furan-2-carboxylic acid

3-(aminomethyl)furan-2-carboxylic acid (PubChem CID 715166) has the molecular formula C6H7NO3 and a molecular weight of 141.13 g/mol. Its IUPAC name is 3-(aminomethyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name3-(aminomethyl)furan-2-carboxylic acid
PubChem CID715166
Molecular FormulaC6H7NO3
Molecular Weight141.13 g/mol
Exact Mass141.04
IUPAC Name3-(aminomethyl)furan-2-carboxylic acid
SMILESNCc1ccoc1C(=O)O
InChIInChI=1S/C6H7NO3/c7-3-4-1-2-10-5(4)6(8)9/h1-2H,3,7H2,(H,8,9)
InChIKeyBJDBDPLJQFTEKJ-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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Related Compounds

3-Methyl-2-furoic acid
CID 78127
1-(2-Methylfuran-3-yl)methanamine
CID 18525866
3-Ethylfuran-2-carboxylic acid
CID 11194378
4-(Aminomethyl)furan-2-carboxylic acid;hydrochloride
CID 56930862
4-(Aminomethyl)-5-ethylfuran-2-carboxylic acid
CID 1093418
3-(Piperazin-1-ylmethyl)furan-2-carboxylic acid dihydrochloride
CID 50988437
3-((Dimethylamino)methyl)furan-2-carboxylic acid hydrochloride
CID 102555191
Aminomethyl-hydroxymethylfuran
CID 21646476
Aminomethylfurfural
CID 88064956
Azidomethylfurfural
CID 129856267
3-[(Dimethylamino)methyl]furan-2-carboxylic acid
CID 43153221
4-(Aminomethyl)furan-2-carboxylic acid
CID 56930863

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)furan-2-carboxylic acid?
The IUPAC name of 3-(aminomethyl)furan-2-carboxylic acid (CID 715166) is 3-(aminomethyl)furan-2-carboxylic acid.
What is the SMILES notation for 3-(aminomethyl)furan-2-carboxylic acid?
The canonical SMILES for 3-(aminomethyl)furan-2-carboxylic acid is NCc1ccoc1C(=O)O.
What is the InChIKey of 3-(aminomethyl)furan-2-carboxylic acid?
The InChIKey is BJDBDPLJQFTEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO3/c7-3-4-1-2-10-5(4)6(8)9/h1-2H,3,7H2,(H,8,9).
What are the key properties of 3-(aminomethyl)furan-2-carboxylic acid?
3-(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 3-(aminomethyl)furan-2-carboxylic acid is sourced from PubChem (CID 715166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).