methyl 5-[[(3-methoxy-3-oxopropyl)-methylamino]methyl]furan-2-carboxylate

C12H17NO5 — CID 62012653

IUPACmethyl 5-[[(3-methoxy-3-oxopropyl)-methylamino]methyl]furan-2-carboxylate
SMILESCOC(=O)CCN(C)Cc1ccc(C(=O)OC)o1
InChIInChI=1S/C12H17NO5/c1-13(7-6-11(14)16-2)8-9-4-5-10(18-9)12(15)17-3/h4-5H,6-8H2,1-3H3
InChIKeyFNROZRAYJNUHOU-UHFFFAOYSA-N
MW255.27 g/mol
LogP1.06
Rot. Bonds6

About methyl 5-[[(3-methoxy-3-oxopropyl)-methylamino]methyl]furan-2-carboxylate

methyl 5-[[(3-methoxy-3-oxopropyl)-methylamino]methyl]furan-2-carboxylate (PubChem CID 62012653) has the molecular formula C12H17NO5 and a molecular weight of 255.27 g/mol. Its IUPAC name is methyl 5-[[(3-methoxy-3-oxopropyl)-methylamino]methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[(3-methoxy-3-oxopropyl)-methylamino]methyl]furan-2-carboxylate
PubChem CID62012653
Molecular FormulaC12H17NO5
Molecular Weight255.27 g/mol
Exact Mass255.11
IUPAC Namemethyl 5-[[(3-methoxy-3-oxopropyl)-methylamino]methyl]furan-2-carboxylate
SMILESCOC(=O)CCN(C)Cc1ccc(C(=O)OC)o1
InChIInChI=1S/C12H17NO5/c1-13(7-6-11(14)16-2)8-9-4-5-10(18-9)12(15)17-3/h4-5H,6-8H2,1-3H3
InChIKeyFNROZRAYJNUHOU-UHFFFAOYSA-N
XLogP1.06
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-[[(3-ethoxy-3-oxopropyl)-methylamino]methyl]furan-2-carboxylate
CID 62012233
methyl 3-[(4-ethylphenyl)methyl-methylamino]propanoate
CID 60648146
methyl 3-[methyl-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]amino]propanoate
CID 94489479
methyl 5-[[2-(3-chlorophenoxy)ethyl-methylamino]methyl]furan-2-carboxylate
CID 55431674
methyl 3-[methyl-[(4-methylphenyl)methyl]amino]propanoate
CID 28830279
methyl 5-[[bis(furan-2-ylmethyl)amino]methyl]furan-2-carboxylate
CID 24714243
methyl 5-[[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methylamino]methyl]furan-2-carboxylate
CID 39903202
methyl 5-[[methyl(naphthalen-1-yl)amino]methyl]furan-2-carboxylate
CID 60572966
methyl 5-[[benzyl(ethyl)amino]methyl]furan-2-carboxylate
CID 78807669
methyl 5-(methylaminomethyl)furan-2-carboxylate;hydrochloride
CID 86812264
methyl 3-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]propanoate
CID 115232427
methyl 5-[[(2-ethoxy-2-oxoethyl)amino]methyl]furan-2-carboxylate
CID 60810799

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[(3-methoxy-3-oxopropyl)-methylamino]methyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[[(3-methoxy-3-oxopropyl)-methylamino]methyl]furan-2-carboxylate (CID 62012653) is methyl 5-[[(3-methoxy-3-oxopropyl)-methylamino]methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[[(3-methoxy-3-oxopropyl)-methylamino]methyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[[(3-methoxy-3-oxopropyl)-methylamino]methyl]furan-2-carboxylate is COC(=O)CCN(C)Cc1ccc(C(=O)OC)o1.
What is the InChIKey of methyl 5-[[(3-methoxy-3-oxopropyl)-methylamino]methyl]furan-2-carboxylate?
The InChIKey is FNROZRAYJNUHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO5/c1-13(7-6-11(14)16-2)8-9-4-5-10(18-9)12(15)17-3/h4-5H,6-8H2,1-3H3.
What are the key properties of methyl 5-[[(3-methoxy-3-oxopropyl)-methylamino]methyl]furan-2-carboxylate?
methyl 5-[[(3-methoxy-3-oxopropyl)-methylamino]methyl]furan-2-carboxylate has a molecular weight of 255.27 g/mol, XLogP of 1.06, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[(3-methoxy-3-oxopropyl)-methylamino]methyl]furan-2-carboxylate is sourced from PubChem (CID 62012653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).