methyl 3-[[2-(2-methylpropoxy)ethylamino]methyl]furan-2-carboxylate

C13H21NO4 — CID 115904855

IUPACmethyl 3-[[2-(2-methylpropoxy)ethylamino]methyl]furan-2-carboxylate
SMILESCOC(=O)c1occc1CNCCOCC(C)C
InChIInChI=1S/C13H21NO4/c1-10(2)9-17-7-5-14-8-11-4-6-18-12(11)13(15)16-3/h4,6,10,14H,5,7-9H2,1-3H3
InChIKeyAJEOGSAOYKROBA-UHFFFAOYSA-N
MW255.31 g/mol
LogP1.83
Rot. Bonds8

About methyl 3-[[2-(2-methylpropoxy)ethylamino]methyl]furan-2-carboxylate

methyl 3-[[2-(2-methylpropoxy)ethylamino]methyl]furan-2-carboxylate (PubChem CID 115904855) has the molecular formula C13H21NO4 and a molecular weight of 255.31 g/mol. Its IUPAC name is methyl 3-[[2-(2-methylpropoxy)ethylamino]methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[2-(2-methylpropoxy)ethylamino]methyl]furan-2-carboxylate
PubChem CID115904855
Molecular FormulaC13H21NO4
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Namemethyl 3-[[2-(2-methylpropoxy)ethylamino]methyl]furan-2-carboxylate
SMILESCOC(=O)c1occc1CNCCOCC(C)C
InChIInChI=1S/C13H21NO4/c1-10(2)9-17-7-5-14-8-11-4-6-18-12(11)13(15)16-3/h4,6,10,14H,5,7-9H2,1-3H3
InChIKeyAJEOGSAOYKROBA-UHFFFAOYSA-N
XLogP1.83
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[[2-(dimethylamino)ethylamino]methyl]furan-2-carboxylate
CID 43424817
methyl 3-[(2-ethylsulfonylethylamino)methyl]furan-2-carboxylate
CID 103921879
4-[(2-methoxycarbonylfuran-3-yl)methylamino]butanoic acid
CID 60782689
methyl 3-[[[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]furan-2-carboxylate
CID 43777897
methyl 3-[[2-(diethylamino)ethylamino]methyl]furan-2-carboxylate
CID 43425084
methyl 3-[(2-prop-2-enylsulfanylethylamino)methyl]furan-2-carboxylate
CID 103922825
2-[[2-(2-methylpropoxy)ethylamino]methyl]furan-3-carboxylic acid
CID 103267603
methyl 3-[(1,3-dihydroxypropan-2-ylamino)methyl]furan-2-carboxylate
CID 65315678
methyl 3-[(cyclopentylmethylamino)methyl]furan-2-carboxylate
CID 43775570
methyl 3-[[(4-ethylphenyl)methylamino]methyl]furan-2-carboxylate
CID 103827308
methyl 3-[[1-(dimethylamino)propan-2-ylamino]methyl]furan-2-carboxylate
CID 82945092
methyl 3-[[2-(1,2,4-oxadiazol-5-yl)ethylamino]methyl]furan-2-carboxylate
CID 106395132

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(2-methylpropoxy)ethylamino]methyl]furan-2-carboxylate?
The IUPAC name of methyl 3-[[2-(2-methylpropoxy)ethylamino]methyl]furan-2-carboxylate (CID 115904855) is methyl 3-[[2-(2-methylpropoxy)ethylamino]methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 3-[[2-(2-methylpropoxy)ethylamino]methyl]furan-2-carboxylate?
The canonical SMILES for methyl 3-[[2-(2-methylpropoxy)ethylamino]methyl]furan-2-carboxylate is COC(=O)c1occc1CNCCOCC(C)C.
What is the InChIKey of methyl 3-[[2-(2-methylpropoxy)ethylamino]methyl]furan-2-carboxylate?
The InChIKey is AJEOGSAOYKROBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4/c1-10(2)9-17-7-5-14-8-11-4-6-18-12(11)13(15)16-3/h4,6,10,14H,5,7-9H2,1-3H3.
What are the key properties of methyl 3-[[2-(2-methylpropoxy)ethylamino]methyl]furan-2-carboxylate?
methyl 3-[[2-(2-methylpropoxy)ethylamino]methyl]furan-2-carboxylate has a molecular weight of 255.31 g/mol, XLogP of 1.83, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(2-methylpropoxy)ethylamino]methyl]furan-2-carboxylate is sourced from PubChem (CID 115904855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).