5-(azaniumylmethyl)furan-3-carboxylate

C6H7NO3 — CID 6926210

IUPAC5-(azaniumylmethyl)furan-3-carboxylate
SMILES[NH3+]Cc1cc(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
LogP-1.62
Rot. Bonds2

About 5-(azaniumylmethyl)furan-3-carboxylate

5-(azaniumylmethyl)furan-3-carboxylate (PubChem CID 6926210) has the molecular formula C6H7NO3 and a molecular weight of 141.13 g/mol. Its IUPAC name is 5-(azaniumylmethyl)furan-3-carboxylate.

Molecular Properties

Compound Name5-(azaniumylmethyl)furan-3-carboxylate
PubChem CID6926210
Molecular FormulaC6H7NO3
Molecular Weight141.13 g/mol
Exact Mass141.04
IUPAC Name5-(azaniumylmethyl)furan-3-carboxylate
SMILES[NH3+]Cc1cc(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
XLogP-1.62
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 5-1.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 2-(aminomethyl)-5-(tert-butyl)furan-3-carboxylate
CID 607286
(3-Methylfuran-2-yl)methanamine
CID 18187367
5-(Aminomethyl)-3-furanmethanol phosphate
CID 25200570
[5-(Aminomethyl)furan-3-yl]methyl diphosphate
CID 91819953
(5-(Aminomethyl)-3-furyl)methyl phosphate
CID 25244004
[5-(Aminomethyl)-3-furyl]methyl diphosphate
CID 91819954
5-(Aminomethyl)furan-3-carboxylic acid
CID 715173
(4-Methylfuran-2-yl)methanamine
CID 14677545
Methyl 5-(aminomethyl)-2-methylfuran-3-carboxylate hydrochloride
CID 43810610
3-Furancarboxylic acid, 5-(aminocarbonyl)-
CID 57439012
[4-(Trifluoromethyl)furan-2-yl]methanamine hydrochloride
CID 138037955
5-Diethylaminomethyl-furan-3-carboxylic acid
CID 2317134

Frequently Asked Questions

What is the IUPAC name of 5-(azaniumylmethyl)furan-3-carboxylate?
The IUPAC name of 5-(azaniumylmethyl)furan-3-carboxylate (CID 6926210) is 5-(azaniumylmethyl)furan-3-carboxylate.
What is the SMILES notation for 5-(azaniumylmethyl)furan-3-carboxylate?
The canonical SMILES for 5-(azaniumylmethyl)furan-3-carboxylate is [NH3+]Cc1cc(C(=O)[O-])co1.
What is the InChIKey of 5-(azaniumylmethyl)furan-3-carboxylate?
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-(azaniumylmethyl)furan-3-carboxylate?
5-(azaniumylmethyl)furan-3-carboxylate has a molecular weight of 141.13 g/mol, XLogP of -1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azaniumylmethyl)furan-3-carboxylate is sourced from PubChem (CID 6926210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).