methyl 2-acetamido-3-(furan-3-ylmethylamino)propanoate

C11H16N2O4 — CID 103267901

IUPACmethyl 2-acetamido-3-(furan-3-ylmethylamino)propanoate
SMILESCOC(=O)C(CNCc1ccoc1)NC(C)=O
InChIInChI=1S/C11H16N2O4/c1-8(14)13-10(11(15)16-2)6-12-5-9-3-4-17-7-9/h3-4,7,10,12H,5-6H2,1-2H3,(H,13,14)
InChIKeyCASAUDDKTDGUBX-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.05
Rot. Bonds6

About methyl 2-acetamido-3-(furan-3-ylmethylamino)propanoate

methyl 2-acetamido-3-(furan-3-ylmethylamino)propanoate (PubChem CID 103267901) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is methyl 2-acetamido-3-(furan-3-ylmethylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-acetamido-3-(furan-3-ylmethylamino)propanoate
PubChem CID103267901
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Namemethyl 2-acetamido-3-(furan-3-ylmethylamino)propanoate
SMILESCOC(=O)C(CNCc1ccoc1)NC(C)=O
InChIInChI=1S/C11H16N2O4/c1-8(14)13-10(11(15)16-2)6-12-5-9-3-4-17-7-9/h3-4,7,10,12H,5-6H2,1-2H3,(H,13,14)
InChIKeyCASAUDDKTDGUBX-UHFFFAOYSA-N
XLogP0.05
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-acetamido-3-[[4-(hydroxymethyl)phenyl]methylamino]propanoate
CID 107232568
methyl 2-acetamido-3-(2-ethylbutylamino)propanoate
CID 103267065
N-(furan-3-ylmethyl)-2-methoxy-3,3-dimethylbutan-1-amine
CID 115667010
methyl 2-acetamido-3-(2,2-dimethylpropylamino)propanoate
CID 103242854
1-(furan-3-yl)-N-(furan-3-ylmethyl)methanamine
CID 115607346
methyl 2-acetamido-3-[2-(5-chlorothiophen-2-yl)ethylamino]propanoate
CID 106036862
methyl (2S)-2-acetamido-3-(4-pyrrol-1-ylphenyl)propanoate
CID 45357069
(2S)-3-(furan-3-ylmethylamino)propane-1,2-diol
CID 104874092
methyl 2-acetamido-3-(2,3-dimethylbutylamino)propanoate
CID 103254421
tert-butyl N-[2-(furan-3-ylmethylamino)-1-phenylethyl]carbamate
CID 103700823
3,3,3-trifluoro-2-[(furan-3-ylmethylamino)methyl]propanoic acid
CID 103267898
methyl 2-acetamido-3-[1-(4-ethylphenyl)ethylamino]propanoate
CID 103241769

Frequently Asked Questions

What is the IUPAC name of methyl 2-acetamido-3-(furan-3-ylmethylamino)propanoate?
The IUPAC name of methyl 2-acetamido-3-(furan-3-ylmethylamino)propanoate (CID 103267901) is methyl 2-acetamido-3-(furan-3-ylmethylamino)propanoate.
What is the SMILES notation for methyl 2-acetamido-3-(furan-3-ylmethylamino)propanoate?
The canonical SMILES for methyl 2-acetamido-3-(furan-3-ylmethylamino)propanoate is COC(=O)C(CNCc1ccoc1)NC(C)=O.
What is the InChIKey of methyl 2-acetamido-3-(furan-3-ylmethylamino)propanoate?
The InChIKey is CASAUDDKTDGUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-8(14)13-10(11(15)16-2)6-12-5-9-3-4-17-7-9/h3-4,7,10,12H,5-6H2,1-2H3,(H,13,14).
What are the key properties of methyl 2-acetamido-3-(furan-3-ylmethylamino)propanoate?
methyl 2-acetamido-3-(furan-3-ylmethylamino)propanoate has a molecular weight of 240.26 g/mol, XLogP of 0.05, 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-(furan-3-ylmethylamino)propanoate is sourced from PubChem (CID 103267901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).