methyl 5-(aminomethyl)furan-3-carboxylate;hydrochloride

C7H10ClNO3 — CID 126796989

IUPACmethyl 5-(aminomethyl)furan-3-carboxylate;hydrochloride
SMILESCOC(=O)c1coc(CN)c1.Cl
InChIInChI=1S/C7H9NO3.ClH/c1-10-7(9)5-2-6(3-8)11-4-5;/h2,4H,3,8H2,1H3;1H
InChIKeyINYLTBTXPHMFKA-UHFFFAOYSA-N
MW191.61 g/mol
LogP0.95
Rot. Bonds2

About methyl 5-(aminomethyl)furan-3-carboxylate;hydrochloride

methyl 5-(aminomethyl)furan-3-carboxylate;hydrochloride (PubChem CID 126796989) has the molecular formula C7H10ClNO3 and a molecular weight of 191.61 g/mol. Its IUPAC name is methyl 5-(aminomethyl)furan-3-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 5-(aminomethyl)furan-3-carboxylate;hydrochloride
PubChem CID126796989
Molecular FormulaC7H10ClNO3
Molecular Weight191.61 g/mol
Exact Mass191.03
IUPAC Namemethyl 5-(aminomethyl)furan-3-carboxylate;hydrochloride
SMILESCOC(=O)c1coc(CN)c1.Cl
InChIInChI=1S/C7H9NO3.ClH/c1-10-7(9)5-2-6(3-8)11-4-5;/h2,4H,3,8H2,1H3;1H
InChIKeyINYLTBTXPHMFKA-UHFFFAOYSA-N
XLogP0.95
TPSA65.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.61
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(Aminomethyl)-3-furanmethanol phosphate
CID 25200570
[5-(Aminomethyl)furan-3-yl]methyl diphosphate
CID 91819953
Ethyl 2-(aminomethyl)-5-(tert-butyl)furan-3-carboxylate
CID 607286
(3-Methylfuran-2-yl)methanamine
CID 18187367
(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
5-({[(Tert-butoxy)carbonyl]amino}methyl)furan-3-carboxylic acid
CID 75478569
[4-(Trifluoromethyl)furan-2-yl]methanamine hydrochloride
CID 138037955

Frequently Asked Questions

What is the IUPAC name of methyl 5-(aminomethyl)furan-3-carboxylate;hydrochloride?
The IUPAC name of methyl 5-(aminomethyl)furan-3-carboxylate;hydrochloride (CID 126796989) is methyl 5-(aminomethyl)furan-3-carboxylate;hydrochloride.
What is the SMILES notation for methyl 5-(aminomethyl)furan-3-carboxylate;hydrochloride?
The canonical SMILES for methyl 5-(aminomethyl)furan-3-carboxylate;hydrochloride is COC(=O)c1coc(CN)c1.Cl.
What is the InChIKey of methyl 5-(aminomethyl)furan-3-carboxylate;hydrochloride?
The InChIKey is INYLTBTXPHMFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3.ClH/c1-10-7(9)5-2-6(3-8)11-4-5;/h2,4H,3,8H2,1H3;1H.
What are the key properties of methyl 5-(aminomethyl)furan-3-carboxylate;hydrochloride?
methyl 5-(aminomethyl)furan-3-carboxylate;hydrochloride has a molecular weight of 191.61 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(aminomethyl)furan-3-carboxylate;hydrochloride is sourced from PubChem (CID 126796989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).