ethyl 2-(aminomethyl)-5-tert-butylfuran-3-carboxylate

C12H19NO3 — CID 607286

IUPACethyl 2-(aminomethyl)-5-tert-butylfuran-3-carboxylate
SMILESCCOC(=O)c1cc(C(C)(C)C)oc1CN
InChIInChI=1S/C12H19NO3/c1-5-15-11(14)8-6-10(12(2,3)4)16-9(8)7-13/h6H,5,7,13H2,1-4H3
InChIKeyJXCNRNVAFQVPDO-UHFFFAOYSA-N
MW225.29 g/mol
LogP2.21
Rot. Bonds3

About ethyl 2-(aminomethyl)-5-tert-butylfuran-3-carboxylate

ethyl 2-(aminomethyl)-5-tert-butylfuran-3-carboxylate (PubChem CID 607286) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is ethyl 2-(aminomethyl)-5-tert-butylfuran-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(aminomethyl)-5-tert-butylfuran-3-carboxylate
PubChem CID607286
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Nameethyl 2-(aminomethyl)-5-tert-butylfuran-3-carboxylate
SMILESCCOC(=O)c1cc(C(C)(C)C)oc1CN
InChIInChI=1S/C12H19NO3/c1-5-15-11(14)8-6-10(12(2,3)4)16-9(8)7-13/h6H,5,7,13H2,1-4H3
InChIKeyJXCNRNVAFQVPDO-UHFFFAOYSA-N
XLogP2.21
TPSA65.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(Tert-butyl)-2-methyl-3-furamide
CID 704149
2-(Aminomethyl)-5-phenyl-3-furancarboxylic acid
CID 687980
Cambridge id 7294040
CID 6603658
5-tert-Butyl-2-diethylaminomethyl-furan-3-carboxylic acid
CID 602533
5-tert-Butyl-2-piperidin-1-ylmethyl-furan-3-carboxylic acid
CID 653638
Methyl 5-(aminomethyl)-2-methylfuran-3-carboxylate hydrochloride
CID 43810610
5-(Tert-butyl)-2-((diethylamino)methyl)furan-3-carboxylic acid hydrochloride
CID 45074786
Methyl 2-methyl-5-[(methylamino)methyl]furan-3-carboxylate hydrochloride
CID 16285960
5-(Aminomethyl)-2-methylfuran-3-carboxylic acid hydrochloride
CID 91654549
Methyl 5-(aminomethyl)furan-3-carboxylate hydrochloride
CID 126796989
2-(Aminomethyl)furan-3-carboxylic acid hydrochloride
CID 137698659
Methyl 5-(3-aminopropyl)-2-methylfuran-3-carboxylate hydrochloride
CID 145874431

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(aminomethyl)-5-tert-butylfuran-3-carboxylate?
The IUPAC name of ethyl 2-(aminomethyl)-5-tert-butylfuran-3-carboxylate (CID 607286) is ethyl 2-(aminomethyl)-5-tert-butylfuran-3-carboxylate.
What is the SMILES notation for ethyl 2-(aminomethyl)-5-tert-butylfuran-3-carboxylate?
The canonical SMILES for ethyl 2-(aminomethyl)-5-tert-butylfuran-3-carboxylate is CCOC(=O)c1cc(C(C)(C)C)oc1CN.
What is the InChIKey of ethyl 2-(aminomethyl)-5-tert-butylfuran-3-carboxylate?
The InChIKey is JXCNRNVAFQVPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-5-15-11(14)8-6-10(12(2,3)4)16-9(8)7-13/h6H,5,7,13H2,1-4H3.
What are the key properties of ethyl 2-(aminomethyl)-5-tert-butylfuran-3-carboxylate?
ethyl 2-(aminomethyl)-5-tert-butylfuran-3-carboxylate has a molecular weight of 225.29 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(aminomethyl)-5-tert-butylfuran-3-carboxylate is sourced from PubChem (CID 607286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).