methyl 5-(aminomethyl)-2-methylfuran-3-carboxylate

C8H11NO3 — CID 25312740

IUPACmethyl 5-(aminomethyl)-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1cc(CN)oc1C
InChIInChI=1S/C8H11NO3/c1-5-7(8(10)11-2)3-6(4-9)12-5/h3H,4,9H2,1-2H3
InChIKeyWZLNLXYHVWNQAY-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.83
Rot. Bonds2

About methyl 5-(aminomethyl)-2-methylfuran-3-carboxylate

methyl 5-(aminomethyl)-2-methylfuran-3-carboxylate (PubChem CID 25312740) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is methyl 5-(aminomethyl)-2-methylfuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-(aminomethyl)-2-methylfuran-3-carboxylate
PubChem CID25312740
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Namemethyl 5-(aminomethyl)-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1cc(CN)oc1C
InChIInChI=1S/C8H11NO3/c1-5-7(8(10)11-2)3-6(4-9)12-5/h3H,4,9H2,1-2H3
InChIKeyWZLNLXYHVWNQAY-UHFFFAOYSA-N
XLogP0.83
TPSA65.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(Aminomethyl)-5-phenyl-3-furancarboxylic acid
CID 687980
Methyl 4-{[(2-furylmethyl)amino]sulfonyl}-2,5-dimethyl-3-furoate
CID 2742995
5-(Aminomethyl)-3-furanmethanol phosphate
CID 25200570
Ethyl 2-(aminomethyl)-5-(tert-butyl)furan-3-carboxylate
CID 607286
2-Methyl-5-morpholin-4-ylmethyl-furan-3-carboxylic acid
CID 586928
5-[(Diethylamino)methyl]-2-methylfuran-3-carboxylic acid
CID 1857693
5-(Aminomethyl)furan-3-carboxylic acid
CID 715173
1-Amino-2-(2,5-dimethylfuran-3-yl)propan-2-ol
CID 54594974
(4-Methylfuran-2-yl)methanamine
CID 14677545
(4,5-Dimethylfuran-2-yl)methanamine
CID 15563821
Methyl 5-(aminomethyl)-2-methylfuran-3-carboxylate hydrochloride
CID 43810610
5-Diethylaminomethyl-furan-3-carboxylic acid
CID 2317134

Frequently Asked Questions

What is the IUPAC name of methyl 5-(aminomethyl)-2-methylfuran-3-carboxylate?
The IUPAC name of methyl 5-(aminomethyl)-2-methylfuran-3-carboxylate (CID 25312740) is methyl 5-(aminomethyl)-2-methylfuran-3-carboxylate.
What is the SMILES notation for methyl 5-(aminomethyl)-2-methylfuran-3-carboxylate?
The canonical SMILES for methyl 5-(aminomethyl)-2-methylfuran-3-carboxylate is COC(=O)c1cc(CN)oc1C.
What is the InChIKey of methyl 5-(aminomethyl)-2-methylfuran-3-carboxylate?
The InChIKey is WZLNLXYHVWNQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c1-5-7(8(10)11-2)3-6(4-9)12-5/h3H,4,9H2,1-2H3.
What are the key properties of methyl 5-(aminomethyl)-2-methylfuran-3-carboxylate?
methyl 5-(aminomethyl)-2-methylfuran-3-carboxylate has a molecular weight of 169.18 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(aminomethyl)-2-methylfuran-3-carboxylate is sourced from PubChem (CID 25312740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).