methyl 3-[2-methoxyethyl-(3-methylfuran-2-carbonyl)amino]propanoate

C13H19NO5 — CID 78959326

IUPACmethyl 3-[2-methoxyethyl-(3-methylfuran-2-carbonyl)amino]propanoate
SMILESCOCCN(CCC(=O)OC)C(=O)c1occc1C
InChIInChI=1S/C13H19NO5/c1-10-5-8-19-12(10)13(16)14(7-9-17-2)6-4-11(15)18-3/h5,8H,4,6-7,9H2,1-3H3
InChIKeyJJSLDWAVWLSPSN-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.24
Rot. Bonds7

About methyl 3-[2-methoxyethyl-(3-methylfuran-2-carbonyl)amino]propanoate

methyl 3-[2-methoxyethyl-(3-methylfuran-2-carbonyl)amino]propanoate (PubChem CID 78959326) has the molecular formula C13H19NO5 and a molecular weight of 269.30 g/mol. Its IUPAC name is methyl 3-[2-methoxyethyl-(3-methylfuran-2-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[2-methoxyethyl-(3-methylfuran-2-carbonyl)amino]propanoate
PubChem CID78959326
Molecular FormulaC13H19NO5
Molecular Weight269.30 g/mol
Exact Mass269.13
IUPAC Namemethyl 3-[2-methoxyethyl-(3-methylfuran-2-carbonyl)amino]propanoate
SMILESCOCCN(CCC(=O)OC)C(=O)c1occc1C
InChIInChI=1S/C13H19NO5/c1-10-5-8-19-12(10)13(16)14(7-9-17-2)6-4-11(15)18-3/h5,8H,4,6-7,9H2,1-3H3
InChIKeyJJSLDWAVWLSPSN-UHFFFAOYSA-N
XLogP1.24
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-methoxyethyl-(2-methylfuran-3-carbonyl)amino]propanoic acid
CID 5103103
methyl 3-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)-(2-methoxyethyl)amino]propanoate
CID 79026392
methyl 3-[(2,6-dihydroxybenzoyl)-(2-methoxyethyl)amino]propanoate
CID 107689507
methyl 3-[(3,5-dimethylbenzoyl)-(2-methoxyethyl)amino]propanoate
CID 78959076
methyl 3-[(4-fluoro-2-methylbenzoyl)-(2-methoxyethyl)amino]propanoate
CID 115745885
methyl 3-[(4-aminobenzoyl)-(2-methoxyethyl)amino]propanoate
CID 115532929
methyl 3-[(3,4-dihydroxybenzoyl)-(2-methoxyethyl)amino]propanoate
CID 103957103
N-[3-(tert-butylamino)-3-oxopropyl]-N-(2-methoxyethyl)-2-methylfuran-3-carboxamide
CID 3673721
methyl 3-[2-methoxyethyl(1H-pyrazole-5-carbonyl)amino]propanoate
CID 78959070
(2S)-5-methoxy-2-[(3-methylfuran-2-carbonyl)amino]-5-oxopentanoic acid
CID 107820212
methyl 3-[(2,5-difluorobenzoyl)-(2-methoxyethyl)amino]propanoate
CID 78958878
methyl 3-[(6-chloropyridine-2-carbonyl)-(2-methoxyethyl)amino]propanoate
CID 78958864

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-methoxyethyl-(3-methylfuran-2-carbonyl)amino]propanoate?
The IUPAC name of methyl 3-[2-methoxyethyl-(3-methylfuran-2-carbonyl)amino]propanoate (CID 78959326) is methyl 3-[2-methoxyethyl-(3-methylfuran-2-carbonyl)amino]propanoate.
What is the SMILES notation for methyl 3-[2-methoxyethyl-(3-methylfuran-2-carbonyl)amino]propanoate?
The canonical SMILES for methyl 3-[2-methoxyethyl-(3-methylfuran-2-carbonyl)amino]propanoate is COCCN(CCC(=O)OC)C(=O)c1occc1C.
What is the InChIKey of methyl 3-[2-methoxyethyl-(3-methylfuran-2-carbonyl)amino]propanoate?
The InChIKey is JJSLDWAVWLSPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO5/c1-10-5-8-19-12(10)13(16)14(7-9-17-2)6-4-11(15)18-3/h5,8H,4,6-7,9H2,1-3H3.
What are the key properties of methyl 3-[2-methoxyethyl-(3-methylfuran-2-carbonyl)amino]propanoate?
methyl 3-[2-methoxyethyl-(3-methylfuran-2-carbonyl)amino]propanoate has a molecular weight of 269.30 g/mol, XLogP of 1.24, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-methoxyethyl-(3-methylfuran-2-carbonyl)amino]propanoate is sourced from PubChem (CID 78959326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).