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

C15H23NO5 — CID 43232042

IUPACmethyl 5-[[3-(oxolan-2-ylmethoxy)propylamino]methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(CNCCCOCC2CCCO2)o1
InChIInChI=1S/C15H23NO5/c1-18-15(17)14-6-5-12(21-14)10-16-7-3-8-19-11-13-4-2-9-20-13/h5-6,13,16H,2-4,7-11H2,1H3
InChIKeyYGGPVCMUXVFDPW-UHFFFAOYSA-N
MW297.35 g/mol
LogP1.74
Rot. Bonds9

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

methyl 5-[[3-(oxolan-2-ylmethoxy)propylamino]methyl]furan-2-carboxylate (PubChem CID 43232042) has the molecular formula C15H23NO5 and a molecular weight of 297.35 g/mol. Its IUPAC name is methyl 5-[[3-(oxolan-2-ylmethoxy)propylamino]methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[3-(oxolan-2-ylmethoxy)propylamino]methyl]furan-2-carboxylate
PubChem CID43232042
Molecular FormulaC15H23NO5
Molecular Weight297.35 g/mol
Exact Mass297.16
IUPAC Namemethyl 5-[[3-(oxolan-2-ylmethoxy)propylamino]methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(CNCCCOCC2CCCO2)o1
InChIInChI=1S/C15H23NO5/c1-18-15(17)14-6-5-12(21-14)10-16-7-3-8-19-11-13-4-2-9-20-13/h5-6,13,16H,2-4,7-11H2,1H3
InChIKeyYGGPVCMUXVFDPW-UHFFFAOYSA-N
XLogP1.74
TPSA69.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[[2-(oxolan-2-yl)ethylamino]methyl]furan-2-carboxylic acid
CID 63317293
methyl 5-[(cyclobutylmethylamino)methyl]furan-2-carboxylate
CID 43775265
methyl 5-[[3-(furan-2-ylmethoxy)propylamino]methyl]furan-2-carboxylate
CID 43232167
methyl 4-(oxolan-2-ylmethoxymethyl)benzoate
CID 43120523
N-[(6-methoxy-3-pyridinyl)methyl]-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 114936359
methyl 4-[[2-(oxolan-2-yl)ethylamino]methyl]benzoate
CID 60767010
N-[(3,4-difluorophenyl)methyl]-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 43182506
3-(oxolan-2-ylmethoxy)-N-(2-phenylethyl)propan-1-amine
CID 43182521
methyl 5-[(3-methylsulfinylpropylamino)methyl]furan-2-carboxylate
CID 115907598
N-(cyclopentylmethyl)-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 62070862
N-[(4-bromo-3-chlorophenyl)methyl]-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 103581519
3-(oxolan-2-ylmethoxy)-N-(pyrimidin-5-ylmethyl)propan-1-amine
CID 62760624

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[3-(oxolan-2-ylmethoxy)propylamino]methyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[[3-(oxolan-2-ylmethoxy)propylamino]methyl]furan-2-carboxylate (CID 43232042) is methyl 5-[[3-(oxolan-2-ylmethoxy)propylamino]methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[[3-(oxolan-2-ylmethoxy)propylamino]methyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[[3-(oxolan-2-ylmethoxy)propylamino]methyl]furan-2-carboxylate is COC(=O)c1ccc(CNCCCOCC2CCCO2)o1.
What is the InChIKey of methyl 5-[[3-(oxolan-2-ylmethoxy)propylamino]methyl]furan-2-carboxylate?
The InChIKey is YGGPVCMUXVFDPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO5/c1-18-15(17)14-6-5-12(21-14)10-16-7-3-8-19-11-13-4-2-9-20-13/h5-6,13,16H,2-4,7-11H2,1H3.
What are the key properties of methyl 5-[[3-(oxolan-2-ylmethoxy)propylamino]methyl]furan-2-carboxylate?
methyl 5-[[3-(oxolan-2-ylmethoxy)propylamino]methyl]furan-2-carboxylate has a molecular weight of 297.35 g/mol, XLogP of 1.74, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[3-(oxolan-2-ylmethoxy)propylamino]methyl]furan-2-carboxylate is sourced from PubChem (CID 43232042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).