methyl 3-[2-(furan-2-yl)ethyl-(3-methoxy-3-oxopropyl)amino]propanoate

C14H21NO5 — CID 139215995

IUPACmethyl 3-[2-(furan-2-yl)ethyl-(3-methoxy-3-oxopropyl)amino]propanoate
SMILESCOC(=O)CCN(CCC(=O)OC)CCc1ccco1
InChIInChI=1S/C14H21NO5/c1-18-13(16)6-9-15(10-7-14(17)19-2)8-5-12-4-3-11-20-12/h3-4,11H,5-10H2,1-2H3
InChIKeyIYDOTHWRQQYQGE-UHFFFAOYSA-N
MW283.32 g/mol
LogP1.25
Rot. Bonds9

About methyl 3-[2-(furan-2-yl)ethyl-(3-methoxy-3-oxopropyl)amino]propanoate

methyl 3-[2-(furan-2-yl)ethyl-(3-methoxy-3-oxopropyl)amino]propanoate (PubChem CID 139215995) has the molecular formula C14H21NO5 and a molecular weight of 283.32 g/mol. Its IUPAC name is methyl 3-[2-(furan-2-yl)ethyl-(3-methoxy-3-oxopropyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[2-(furan-2-yl)ethyl-(3-methoxy-3-oxopropyl)amino]propanoate
PubChem CID139215995
Molecular FormulaC14H21NO5
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC Namemethyl 3-[2-(furan-2-yl)ethyl-(3-methoxy-3-oxopropyl)amino]propanoate
SMILESCOC(=O)CCN(CCC(=O)OC)CCc1ccco1
InChIInChI=1S/C14H21NO5/c1-18-13(16)6-9-15(10-7-14(17)19-2)8-5-12-4-3-11-20-12/h3-4,11H,5-10H2,1-2H3
InChIKeyIYDOTHWRQQYQGE-UHFFFAOYSA-N
XLogP1.25
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[4-(furan-2-yl)butan-2-ylamino]propanoate
CID 43478962
methyl 2-[ethyl-[3-(furan-2-yl)propanoyl]amino]acetate
CID 54979232
methyl 4-[furan-2-ylmethyl(prop-2-ynyl)amino]butanoate
CID 56791574
methyl 4-(furan-2-ylmethylamino)butanoate
CID 30403384
N-(2-bromoethyl)-3-(furan-2-yl)-N-methylpropanamide
CID 80659443
ethyl 5-(furan-2-yl)-3-oxopentanoate
CID 10846117
6-(furan-2-yl)hexane-2,4-dione
CID 155288881
2-bromoethyl 3-(furan-2-yl)propanoate
CID 174386659
2-bromo-N-[2-(furan-2-yl)ethyl]acetamide
CID 63679731
hydrazinyl 3-[furan-2-ylmethyl(methyl)amino]propanoate
CID 66338395
methyl 14-(furan-2-yl)-5,12-dihydroxytetradeca-6,10-dienoate
CID 70461055
tert-butyl 3-(furan-2-yl)propanoate
CID 63897010

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(furan-2-yl)ethyl-(3-methoxy-3-oxopropyl)amino]propanoate?
The IUPAC name of methyl 3-[2-(furan-2-yl)ethyl-(3-methoxy-3-oxopropyl)amino]propanoate (CID 139215995) is methyl 3-[2-(furan-2-yl)ethyl-(3-methoxy-3-oxopropyl)amino]propanoate.
What is the SMILES notation for methyl 3-[2-(furan-2-yl)ethyl-(3-methoxy-3-oxopropyl)amino]propanoate?
The canonical SMILES for methyl 3-[2-(furan-2-yl)ethyl-(3-methoxy-3-oxopropyl)amino]propanoate is COC(=O)CCN(CCC(=O)OC)CCc1ccco1.
What is the InChIKey of methyl 3-[2-(furan-2-yl)ethyl-(3-methoxy-3-oxopropyl)amino]propanoate?
The InChIKey is IYDOTHWRQQYQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO5/c1-18-13(16)6-9-15(10-7-14(17)19-2)8-5-12-4-3-11-20-12/h3-4,11H,5-10H2,1-2H3.
What are the key properties of methyl 3-[2-(furan-2-yl)ethyl-(3-methoxy-3-oxopropyl)amino]propanoate?
methyl 3-[2-(furan-2-yl)ethyl-(3-methoxy-3-oxopropyl)amino]propanoate has a molecular weight of 283.32 g/mol, XLogP of 1.25, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(furan-2-yl)ethyl-(3-methoxy-3-oxopropyl)amino]propanoate is sourced from PubChem (CID 139215995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).