methyl 2-acetamido-3-(5-methylfuran-2-yl)propanoate

C11H15NO4 — CID 139762783

IUPACmethyl 2-acetamido-3-(5-methylfuran-2-yl)propanoate
SMILESCOC(=O)C(Cc1ccc(C)o1)NC(C)=O
InChIInChI=1S/C11H15NO4/c1-7-4-5-9(16-7)6-10(11(14)15-3)12-8(2)13/h4-5,10H,6H2,1-3H3,(H,12,13)
InChIKeyUXWJZWVOFBILMY-UHFFFAOYSA-N
MW225.24 g/mol
LogP0.81
Rot. Bonds4

About methyl 2-acetamido-3-(5-methylfuran-2-yl)propanoate

methyl 2-acetamido-3-(5-methylfuran-2-yl)propanoate (PubChem CID 139762783) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is methyl 2-acetamido-3-(5-methylfuran-2-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-acetamido-3-(5-methylfuran-2-yl)propanoate
PubChem CID139762783
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Namemethyl 2-acetamido-3-(5-methylfuran-2-yl)propanoate
SMILESCOC(=O)C(Cc1ccc(C)o1)NC(C)=O
InChIInChI=1S/C11H15NO4/c1-7-4-5-9(16-7)6-10(11(14)15-3)12-8(2)13/h4-5,10H,6H2,1-3H3,(H,12,13)
InChIKeyUXWJZWVOFBILMY-UHFFFAOYSA-N
XLogP0.81
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(5-methylfuran-2-yl)methoxycarbonylamino]-3-phenylpropanoate
CID 177478576
methyl (2S)-2-acetamido-3-(4-methoxyphenyl)propanoate
CID 6950955
methyl (2R)-2-acetamido-3-(4-acetyloxyphenyl)propanoate
CID 11818302
methyl 2-acetamido-3-(4-methylphenoxy)propanoate
CID 65444167
methyl (2S)-2-acetamido-3-(4-hydroxyphenyl)propanoate;hydrate
CID 56777278
2-acetamido-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]propanoic acid
CID 64581916
ethane;methyl 2-acetamido-3-phenylpropanoate;N-methylmethanamine
CID 91439308
methyl (2S)-2-acetamido-3-(4-hydroxy-2-methylphenyl)propanoate
CID 57148756
methyl 2-benzamido-3-(5-bromofuran-2-yl)propanoate
CID 139762771
methyl (2S)-2-acetamido-3-(2-ethyl-6-methylphenyl)propanoate
CID 11507224
methyl (2S)-2-acetamido-3-(3,4-dihydroxyphenyl)propanoate
CID 57243303
dimethyl (2R,5R)-2,5-diacetamidohexanedioate
CID 88873826

Frequently Asked Questions

What is the IUPAC name of methyl 2-acetamido-3-(5-methylfuran-2-yl)propanoate?
The IUPAC name of methyl 2-acetamido-3-(5-methylfuran-2-yl)propanoate (CID 139762783) is methyl 2-acetamido-3-(5-methylfuran-2-yl)propanoate.
What is the SMILES notation for methyl 2-acetamido-3-(5-methylfuran-2-yl)propanoate?
The canonical SMILES for methyl 2-acetamido-3-(5-methylfuran-2-yl)propanoate is COC(=O)C(Cc1ccc(C)o1)NC(C)=O.
What is the InChIKey of methyl 2-acetamido-3-(5-methylfuran-2-yl)propanoate?
The InChIKey is UXWJZWVOFBILMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-7-4-5-9(16-7)6-10(11(14)15-3)12-8(2)13/h4-5,10H,6H2,1-3H3,(H,12,13).
What are the key properties of methyl 2-acetamido-3-(5-methylfuran-2-yl)propanoate?
methyl 2-acetamido-3-(5-methylfuran-2-yl)propanoate has a molecular weight of 225.24 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-acetamido-3-(5-methylfuran-2-yl)propanoate is sourced from PubChem (CID 139762783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).