methyl 2-acetamido-3-[1-(2,5-dimethylfuran-3-yl)ethylamino]propanoate

C14H22N2O4 — CID 103246122

IUPACmethyl 2-acetamido-3-[1-(2,5-dimethylfuran-3-yl)ethylamino]propanoate
SMILESCOC(=O)C(CNC(C)c1cc(C)oc1C)NC(C)=O
InChIInChI=1S/C14H22N2O4/c1-8-6-12(10(3)20-8)9(2)15-7-13(14(18)19-5)16-11(4)17/h6,9,13,15H,7H2,1-5H3,(H,16,17)
InChIKeyFKOSHBZQUZOVIG-UHFFFAOYSA-N
MW282.34 g/mol
LogP1.22
Rot. Bonds6

About methyl 2-acetamido-3-[1-(2,5-dimethylfuran-3-yl)ethylamino]propanoate

methyl 2-acetamido-3-[1-(2,5-dimethylfuran-3-yl)ethylamino]propanoate (PubChem CID 103246122) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is methyl 2-acetamido-3-[1-(2,5-dimethylfuran-3-yl)ethylamino]propanoate.

Molecular Properties

Compound Namemethyl 2-acetamido-3-[1-(2,5-dimethylfuran-3-yl)ethylamino]propanoate
PubChem CID103246122
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Namemethyl 2-acetamido-3-[1-(2,5-dimethylfuran-3-yl)ethylamino]propanoate
SMILESCOC(=O)C(CNC(C)c1cc(C)oc1C)NC(C)=O
InChIInChI=1S/C14H22N2O4/c1-8-6-12(10(3)20-8)9(2)15-7-13(14(18)19-5)16-11(4)17/h6,9,13,15H,7H2,1-5H3,(H,16,17)
InChIKeyFKOSHBZQUZOVIG-UHFFFAOYSA-N
XLogP1.22
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[1-(2,5-dimethylfuran-3-yl)ethylamino]acetate
CID 60812257
4-[1-(2,5-dimethylfuran-3-yl)ethylamino]butanamide
CID 60864839
methyl 2-acetamido-3-[1-(4-ethylphenyl)ethylamino]propanoate
CID 103241769
methyl 2-acetamido-3-[1-(5-methylthiophen-2-yl)propan-2-ylamino]propanoate
CID 103254230
2-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]acetamide
CID 63680874
methyl 2-acetamido-3-(3,3-dimethylbutan-2-ylamino)propanoate
CID 103265262
N-(cyclopropylmethyl)-1-(2,5-dimethylfuran-3-yl)ethanamine
CID 43121203
methyl 2-[1-(2,5-dimethylfuran-3-yl)ethylamino]-2-methylpropanoate
CID 43726174
5-[1-(2,5-dimethylfuran-3-yl)ethylamino]pentanoic acid
CID 103246101
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-sulfanylpropanamide
CID 107027131
methyl 2-acetamido-3-(5-methylfuran-2-yl)propanoate
CID 139762783
methyl 2-acetamido-3-[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]propanoate
CID 103262789

Frequently Asked Questions

What is the IUPAC name of methyl 2-acetamido-3-[1-(2,5-dimethylfuran-3-yl)ethylamino]propanoate?
The IUPAC name of methyl 2-acetamido-3-[1-(2,5-dimethylfuran-3-yl)ethylamino]propanoate (CID 103246122) is methyl 2-acetamido-3-[1-(2,5-dimethylfuran-3-yl)ethylamino]propanoate.
What is the SMILES notation for methyl 2-acetamido-3-[1-(2,5-dimethylfuran-3-yl)ethylamino]propanoate?
The canonical SMILES for methyl 2-acetamido-3-[1-(2,5-dimethylfuran-3-yl)ethylamino]propanoate is COC(=O)C(CNC(C)c1cc(C)oc1C)NC(C)=O.
What is the InChIKey of methyl 2-acetamido-3-[1-(2,5-dimethylfuran-3-yl)ethylamino]propanoate?
The InChIKey is FKOSHBZQUZOVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-8-6-12(10(3)20-8)9(2)15-7-13(14(18)19-5)16-11(4)17/h6,9,13,15H,7H2,1-5H3,(H,16,17).
What are the key properties of methyl 2-acetamido-3-[1-(2,5-dimethylfuran-3-yl)ethylamino]propanoate?
methyl 2-acetamido-3-[1-(2,5-dimethylfuran-3-yl)ethylamino]propanoate has a molecular weight of 282.34 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-acetamido-3-[1-(2,5-dimethylfuran-3-yl)ethylamino]propanoate is sourced from PubChem (CID 103246122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).