5-(aminomethyl)furan-2-carboxylic acid;hydrochloride

C6H8ClNO3 — CID 56807544

IUPAC5-(aminomethyl)furan-2-carboxylic acid;hydrochloride
SMILESCl.NCc1ccc(C(=O)O)o1
InChIInChI=1S/C6H7NO3.ClH/c7-3-4-1-2-5(10-4)6(8)9;/h1-2H,3,7H2,(H,8,9);1H
InChIKeyVZBDETJVJSTWPP-UHFFFAOYSA-N
MW177.59 g/mol
LogP0.86
Rot. Bonds2

About 5-(aminomethyl)furan-2-carboxylic acid;hydrochloride

5-(aminomethyl)furan-2-carboxylic acid;hydrochloride (PubChem CID 56807544) has the molecular formula C6H8ClNO3 and a molecular weight of 177.59 g/mol. Its IUPAC name is 5-(aminomethyl)furan-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name5-(aminomethyl)furan-2-carboxylic acid;hydrochloride
PubChem CID56807544
Molecular FormulaC6H8ClNO3
Molecular Weight177.59 g/mol
Exact Mass177.02
IUPAC Name5-(aminomethyl)furan-2-carboxylic acid;hydrochloride
SMILESCl.NCc1ccc(C(=O)O)o1
InChIInChI=1S/C6H7NO3.ClH/c7-3-4-1-2-5(10-4)6(8)9;/h1-2H,3,7H2,(H,8,9);1H
InChIKeyVZBDETJVJSTWPP-UHFFFAOYSA-N
XLogP0.86
TPSA76.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.59
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-Morpholin-4-ylmethyl-furan-2-carboxylic acid
CID 580530
5-(Hydroxymethyl-2-furoyl)glycine
CID 6537488
(5-(Aminomethyl)furan-2-yl)methanol
CID 448213
5-((Piperidin-1-yl)methyl)furan-2-carboxylic acid hydrochloride
CID 2836318
5-(Piperidin-1-ylmethyl)furan-2-carboxylic acid
CID 653379
5-((Morpholin-4-yl)methyl)furan-2-carboxylic acid hydrochloride
CID 5331361
5-[(Methylamino)methyl]-2-furanmethanol
CID 14671747
5-[(Diethylamino)methyl]-2-furoic acid
CID 806439
5-Carbamoylfuran-2-carboxylic acid
CID 12441457
4-(Aminomethyl)-5-propylfuran-2-carboxylic acid hydrochloride
CID 2967417
5-[(Diisopropylamino)-methyl]-furan-2-carboxylic acid
CID 744680
5-[(Dimethylamino)methyl]-2-furoic acid
CID 806438

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)furan-2-carboxylic acid;hydrochloride?
The IUPAC name of 5-(aminomethyl)furan-2-carboxylic acid;hydrochloride (CID 56807544) is 5-(aminomethyl)furan-2-carboxylic acid;hydrochloride.
What is the SMILES notation for 5-(aminomethyl)furan-2-carboxylic acid;hydrochloride?
The canonical SMILES for 5-(aminomethyl)furan-2-carboxylic acid;hydrochloride is Cl.NCc1ccc(C(=O)O)o1.
What is the InChIKey of 5-(aminomethyl)furan-2-carboxylic acid;hydrochloride?
The InChIKey is VZBDETJVJSTWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO3.ClH/c7-3-4-1-2-5(10-4)6(8)9;/h1-2H,3,7H2,(H,8,9);1H.
What are the key properties of 5-(aminomethyl)furan-2-carboxylic acid;hydrochloride?
5-(aminomethyl)furan-2-carboxylic acid;hydrochloride has a molecular weight of 177.59 g/mol, XLogP of 0.86, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)furan-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 56807544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).