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

C11H17NO3 — CID 170888841

IUPACmethyl 5-(2-aminobutyl)-2-methylfuran-3-carboxylate
SMILESCCC(N)Cc1cc(C(=O)OC)c(C)o1
InChIInChI=1S/C11H17NO3/c1-4-8(12)5-9-6-10(7(2)15-9)11(13)14-3/h6,8H,4-5,12H2,1-3H3
InChIKeySLUOODOCBNNBOT-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.65
Rot. Bonds4

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

methyl 5-(2-aminobutyl)-2-methylfuran-3-carboxylate (PubChem CID 170888841) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is methyl 5-(2-aminobutyl)-2-methylfuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-(2-aminobutyl)-2-methylfuran-3-carboxylate
PubChem CID170888841
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Namemethyl 5-(2-aminobutyl)-2-methylfuran-3-carboxylate
SMILESCCC(N)Cc1cc(C(=O)OC)c(C)o1
InChIInChI=1S/C11H17NO3/c1-4-8(12)5-9-6-10(7(2)15-9)11(13)14-3/h6,8H,4-5,12H2,1-3H3
InChIKeySLUOODOCBNNBOT-UHFFFAOYSA-N
XLogP1.65
TPSA65.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-[(2-aminopentanoylamino)methyl]-2-methylfuran-3-carboxylate;hydrochloride
CID 119293502
methyl 5-[[(4-methoxycarbonyl-5-methylfuran-2-yl)methylcarbamoylamino]methyl]-2-methylfuran-3-carboxylate
CID 51116970
methyl 2-methyl-5-[[methyl(2-methylbutanoyl)amino]methyl]furan-3-carboxylate
CID 134037285
methyl 2-methyl-5-[(3-methylpentan-3-ylamino)methyl]furan-3-carboxylate
CID 113253716
methyl 5-(chlorosulfonylmethyl)-2-methylfuran-3-carboxylate
CID 62086161
methyl 5-[[[(2R)-1-hydroxypropan-2-yl]amino]methyl]-2-methylfuran-3-carboxylate
CID 114985528
methyl 5-[(2,3-dimethylbutylamino)methyl]-2-methylfuran-3-carboxylate
CID 64569272
methyl 5-[(1-cyclohexylpropylamino)methyl]-2-methylfuran-3-carboxylate
CID 62406987
methyl 5-[(3,5-dimethylanilino)methyl]-2-methylfuran-3-carboxylate
CID 43222394
methyl 5-[[[ethylamino-(2-ethylbutylamino)methylidene]amino]methyl]-2-methylfuran-3-carboxylate;hydroiodide
CID 111890954
methyl 5-[[2-hydroxypropyl(propan-2-yl)amino]methyl]-2-methylfuran-3-carboxylate
CID 111107898
methyl 5-[(4-chlorobenzoyl)oxymethyl]-2-methylfuran-3-carboxylate
CID 2481052

Frequently Asked Questions

What is the IUPAC name of methyl 5-(2-aminobutyl)-2-methylfuran-3-carboxylate?
The IUPAC name of methyl 5-(2-aminobutyl)-2-methylfuran-3-carboxylate (CID 170888841) is methyl 5-(2-aminobutyl)-2-methylfuran-3-carboxylate.
What is the SMILES notation for methyl 5-(2-aminobutyl)-2-methylfuran-3-carboxylate?
The canonical SMILES for methyl 5-(2-aminobutyl)-2-methylfuran-3-carboxylate is CCC(N)Cc1cc(C(=O)OC)c(C)o1.
What is the InChIKey of methyl 5-(2-aminobutyl)-2-methylfuran-3-carboxylate?
The InChIKey is SLUOODOCBNNBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-4-8(12)5-9-6-10(7(2)15-9)11(13)14-3/h6,8H,4-5,12H2,1-3H3.
What are the key properties of methyl 5-(2-aminobutyl)-2-methylfuran-3-carboxylate?
methyl 5-(2-aminobutyl)-2-methylfuran-3-carboxylate has a molecular weight of 211.26 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(2-aminobutyl)-2-methylfuran-3-carboxylate is sourced from PubChem (CID 170888841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).