methyl 5-[[(2-methylcyclopropyl)amino]methyl]furan-2-carboxylate

C11H15NO3 — CID 62396348

IUPACmethyl 5-[[(2-methylcyclopropyl)amino]methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(CNC2CC2C)o1
InChIInChI=1S/C11H15NO3/c1-7-5-9(7)12-6-8-3-4-10(15-8)11(13)14-2/h3-4,7,9,12H,5-6H2,1-2H3
InChIKeyUCCPOFRCSBMUEQ-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.56
Rot. Bonds4

About methyl 5-[[(2-methylcyclopropyl)amino]methyl]furan-2-carboxylate

methyl 5-[[(2-methylcyclopropyl)amino]methyl]furan-2-carboxylate (PubChem CID 62396348) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is methyl 5-[[(2-methylcyclopropyl)amino]methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[(2-methylcyclopropyl)amino]methyl]furan-2-carboxylate
PubChem CID62396348
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Namemethyl 5-[[(2-methylcyclopropyl)amino]methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(CNC2CC2C)o1
InChIInChI=1S/C11H15NO3/c1-7-5-9(7)12-6-8-3-4-10(15-8)11(13)14-2/h3-4,7,9,12H,5-6H2,1-2H3
InChIKeyUCCPOFRCSBMUEQ-UHFFFAOYSA-N
XLogP1.56
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-[[(3-ethyl-2-methylcyclopentyl)amino]methyl]furan-2-carboxylate
CID 64922524
N-[(5-ethylfuran-2-yl)methyl]-2-methylcyclopropan-1-amine
CID 62396351
methyl 5-[[[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]amino]methyl]furan-2-carboxylate
CID 107239036
methyl 5-[(cyclobutylmethylamino)methyl]furan-2-carboxylate
CID 43775265
methyl 5-(methylaminomethyl)furan-2-carboxylate;hydrochloride
CID 86812264
methyl 5-[[(3-ethylcyclohexyl)amino]methyl]furan-2-carboxylate
CID 64743370
methyl 5-[[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]methyl]furan-2-carboxylate
CID 65471978
methyl 5-[(dicyclopropylmethylamino)methyl]furan-2-carboxylate
CID 43234866
methyl 5-[(thian-3-ylamino)methyl]furan-2-carboxylate
CID 115882141
2-[ethyl-[3-[(5-methoxycarbonylfuran-2-yl)methylamino]cyclobutyl]amino]acetic acid
CID 122042779
methyl 5-[[(6-oxopiperidin-3-yl)amino]methyl]furan-2-carboxylate
CID 55246254
methyl 5-[(ethoxyamino)methyl]furan-2-carboxylate
CID 115279422

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[(2-methylcyclopropyl)amino]methyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[[(2-methylcyclopropyl)amino]methyl]furan-2-carboxylate (CID 62396348) is methyl 5-[[(2-methylcyclopropyl)amino]methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[[(2-methylcyclopropyl)amino]methyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[[(2-methylcyclopropyl)amino]methyl]furan-2-carboxylate is COC(=O)c1ccc(CNC2CC2C)o1.
What is the InChIKey of methyl 5-[[(2-methylcyclopropyl)amino]methyl]furan-2-carboxylate?
The InChIKey is UCCPOFRCSBMUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-7-5-9(7)12-6-8-3-4-10(15-8)11(13)14-2/h3-4,7,9,12H,5-6H2,1-2H3.
What are the key properties of methyl 5-[[(2-methylcyclopropyl)amino]methyl]furan-2-carboxylate?
methyl 5-[[(2-methylcyclopropyl)amino]methyl]furan-2-carboxylate has a molecular weight of 209.24 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[(2-methylcyclopropyl)amino]methyl]furan-2-carboxylate is sourced from PubChem (CID 62396348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).