methyl 4-acetyl-2-amino-5-methylfuran-3-carboxylate

C9H11NO4 — CID 20983611

IUPACmethyl 4-acetyl-2-amino-5-methylfuran-3-carboxylate
SMILESCOC(=O)c1c(N)oc(C)c1C(C)=O
InChIInChI=1S/C9H11NO4/c1-4(11)6-5(2)14-8(10)7(6)9(12)13-3/h10H2,1-3H3
InChIKeyBVTYBQHDQWYJNH-UHFFFAOYSA-N
MW197.19 g/mol
LogP1.16
Rot. Bonds2

About methyl 4-acetyl-2-amino-5-methylfuran-3-carboxylate

methyl 4-acetyl-2-amino-5-methylfuran-3-carboxylate (PubChem CID 20983611) has the molecular formula C9H11NO4 and a molecular weight of 197.19 g/mol. Its IUPAC name is methyl 4-acetyl-2-amino-5-methylfuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-acetyl-2-amino-5-methylfuran-3-carboxylate
PubChem CID20983611
Molecular FormulaC9H11NO4
Molecular Weight197.19 g/mol
Exact Mass197.07
IUPAC Namemethyl 4-acetyl-2-amino-5-methylfuran-3-carboxylate
SMILESCOC(=O)c1c(N)oc(C)c1C(C)=O
InChIInChI=1S/C9H11NO4/c1-4(11)6-5(2)14-8(10)7(6)9(12)13-3/h10H2,1-3H3
InChIKeyBVTYBQHDQWYJNH-UHFFFAOYSA-N
XLogP1.16
TPSA82.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

dimethyl 2,5-dimethylfuran-3,4-dicarboxylate
CID 12706089
dimethyl 2-bromo-5-methylfuran-3,4-dicarboxylate
CID 15707254
methyl 4-iodo-2,5-dimethylfuran-3-carboxylate
CID 79016599
methyl 5-(4-acetylphenyl)-2,4-dimethylfuran-3-carboxylate
CID 11380259
methyl 4-acetyl-5-amino-3-methylthiophene-2-carboxylate
CID 65354883
methyl 5-acetamido-4-cyano-2-methylfuran-3-carboxylate
CID 108733946
methyl 2,6-diamino-4-methylbenzoate
CID 57005581
ethyl 4-acetyl-2-(2-bromopropanoylamino)-5-methylfuran-3-carboxylate
CID 108763504
trimethyl 4,5,6-trimethylbenzene-1,2,3-tricarboxylate
CID 58142568
methyl 2,4-dimethylfuran-3-carboxylate
CID 13102221
1-(5-acetyl-2,4-dimethylfuran-3-yl)ethanone
CID 638373
4-acetyl-2-[[2-(2-methoxyethoxy)acetyl]amino]-5-methylfuran-3-carboxamide
CID 108740663

Frequently Asked Questions

What is the IUPAC name of methyl 4-acetyl-2-amino-5-methylfuran-3-carboxylate?
The IUPAC name of methyl 4-acetyl-2-amino-5-methylfuran-3-carboxylate (CID 20983611) is methyl 4-acetyl-2-amino-5-methylfuran-3-carboxylate.
What is the SMILES notation for methyl 4-acetyl-2-amino-5-methylfuran-3-carboxylate?
The canonical SMILES for methyl 4-acetyl-2-amino-5-methylfuran-3-carboxylate is COC(=O)c1c(N)oc(C)c1C(C)=O.
What is the InChIKey of methyl 4-acetyl-2-amino-5-methylfuran-3-carboxylate?
The InChIKey is BVTYBQHDQWYJNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO4/c1-4(11)6-5(2)14-8(10)7(6)9(12)13-3/h10H2,1-3H3.
What are the key properties of methyl 4-acetyl-2-amino-5-methylfuran-3-carboxylate?
methyl 4-acetyl-2-amino-5-methylfuran-3-carboxylate has a molecular weight of 197.19 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-acetyl-2-amino-5-methylfuran-3-carboxylate is sourced from PubChem (CID 20983611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).