methyl 2-methyl-5-[(oxolan-3-ylmethylamino)methyl]furan-3-carboxylate

C13H19NO4 — CID 54932235

IUPACmethyl 2-methyl-5-[(oxolan-3-ylmethylamino)methyl]furan-3-carboxylate
SMILESCOC(=O)c1cc(CNCC2CCOC2)oc1C
InChIInChI=1S/C13H19NO4/c1-9-12(13(15)16-2)5-11(18-9)7-14-6-10-3-4-17-8-10/h5,10,14H,3-4,6-8H2,1-2H3
InChIKeyRTVMJDUPPRXAFD-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.50
Rot. Bonds5

About methyl 2-methyl-5-[(oxolan-3-ylmethylamino)methyl]furan-3-carboxylate

methyl 2-methyl-5-[(oxolan-3-ylmethylamino)methyl]furan-3-carboxylate (PubChem CID 54932235) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is methyl 2-methyl-5-[(oxolan-3-ylmethylamino)methyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-5-[(oxolan-3-ylmethylamino)methyl]furan-3-carboxylate
PubChem CID54932235
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Namemethyl 2-methyl-5-[(oxolan-3-ylmethylamino)methyl]furan-3-carboxylate
SMILESCOC(=O)c1cc(CNCC2CCOC2)oc1C
InChIInChI=1S/C13H19NO4/c1-9-12(13(15)16-2)5-11(18-9)7-14-6-10-3-4-17-8-10/h5,10,14H,3-4,6-8H2,1-2H3
InChIKeyRTVMJDUPPRXAFD-UHFFFAOYSA-N
XLogP1.50
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-methyl-5-[(oxolan-3-ylmethylamino)methyl]furan-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 5-[[(2-hydroxycyclohexyl)methylamino]methyl]-2-methylfuran-3-carboxylate
CID 64929855
2-methyl-5-[[[2-[(3S)-oxolan-3-yl]acetyl]amino]methyl]furan-3-carboxylic acid
CID 125152458
methyl 5-[[[2-(cyclopropylmethylamino)acetyl]amino]methyl]-2-methylfuran-3-carboxylate;hydrochloride
CID 119731037
methyl 5-[[(4-methoxycarbonyl-5-methylfuran-2-yl)methylcarbamoylamino]methyl]-2-methylfuran-3-carboxylate
CID 51116970
3-[(4-methoxycarbonyl-5-methylfuran-2-yl)methylamino]propanoic acid
CID 43774846
methyl 5-[(1-cyclopropylethylamino)methyl]-2-methylfuran-3-carboxylate
CID 43231961
methyl 5-[(2,3-dimethylbutylamino)methyl]-2-methylfuran-3-carboxylate
CID 64569272
methyl 2-methyl-5-[[(2-methylcyclopentyl)amino]methyl]furan-3-carboxylate
CID 63278183
methyl 2-methyl-5-[[(1-methylpyrrolidin-3-yl)amino]methyl]furan-3-carboxylate
CID 54950173
methyl 5-[(1-cyclobutylethylamino)methyl]-2-methylfuran-3-carboxylate
CID 115908711
methyl 5-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-2-methylfuran-3-carboxylate
CID 103830750
methyl 2-methyl-5-[[(2-methyloxan-4-yl)amino]methyl]furan-3-carboxylate
CID 103923807

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-5-[(oxolan-3-ylmethylamino)methyl]furan-3-carboxylate?
The IUPAC name of methyl 2-methyl-5-[(oxolan-3-ylmethylamino)methyl]furan-3-carboxylate (CID 54932235) is methyl 2-methyl-5-[(oxolan-3-ylmethylamino)methyl]furan-3-carboxylate.
What is the SMILES notation for methyl 2-methyl-5-[(oxolan-3-ylmethylamino)methyl]furan-3-carboxylate?
The canonical SMILES for methyl 2-methyl-5-[(oxolan-3-ylmethylamino)methyl]furan-3-carboxylate is COC(=O)c1cc(CNCC2CCOC2)oc1C.
What is the InChIKey of methyl 2-methyl-5-[(oxolan-3-ylmethylamino)methyl]furan-3-carboxylate?
The InChIKey is RTVMJDUPPRXAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-9-12(13(15)16-2)5-11(18-9)7-14-6-10-3-4-17-8-10/h5,10,14H,3-4,6-8H2,1-2H3.
What are the key properties of methyl 2-methyl-5-[(oxolan-3-ylmethylamino)methyl]furan-3-carboxylate?
methyl 2-methyl-5-[(oxolan-3-ylmethylamino)methyl]furan-3-carboxylate has a molecular weight of 253.30 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-5-[(oxolan-3-ylmethylamino)methyl]furan-3-carboxylate is sourced from PubChem (CID 54932235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).