methyl 4-(carbamoylamino)-5-methyl-2,5-dihydrofuran-3-carboxylate

C8H12N2O4 — CID 175373687

IUPACmethyl 4-(carbamoylamino)-5-methyl-2,5-dihydrofuran-3-carboxylate
SMILESCOC(=O)C1=C(NC(N)=O)C(C)OC1
InChIInChI=1S/C8H12N2O4/c1-4-6(10-8(9)12)5(3-14-4)7(11)13-2/h4H,3H2,1-2H3,(H3,9,10,12)
InChIKeyXWUKDATYFZFCKA-UHFFFAOYSA-N
MW200.19 g/mol
LogP-0.50
Rot. Bonds2

About methyl 4-(carbamoylamino)-5-methyl-2,5-dihydrofuran-3-carboxylate

methyl 4-(carbamoylamino)-5-methyl-2,5-dihydrofuran-3-carboxylate (PubChem CID 175373687) has the molecular formula C8H12N2O4 and a molecular weight of 200.19 g/mol. Its IUPAC name is methyl 4-(carbamoylamino)-5-methyl-2,5-dihydrofuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(carbamoylamino)-5-methyl-2,5-dihydrofuran-3-carboxylate
PubChem CID175373687
Molecular FormulaC8H12N2O4
Molecular Weight200.19 g/mol
Exact Mass200.08
IUPAC Namemethyl 4-(carbamoylamino)-5-methyl-2,5-dihydrofuran-3-carboxylate
SMILESCOC(=O)C1=C(NC(N)=O)C(C)OC1
InChIInChI=1S/C8H12N2O4/c1-4-6(10-8(9)12)5(3-14-4)7(11)13-2/h4H,3H2,1-2H3,(H3,9,10,12)
InChIKeyXWUKDATYFZFCKA-UHFFFAOYSA-N
XLogP-0.50
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(carbamoylamino)-5-methyl-2,5-dihydrofuran-3-carboxylate?
The IUPAC name of methyl 4-(carbamoylamino)-5-methyl-2,5-dihydrofuran-3-carboxylate (CID 175373687) is methyl 4-(carbamoylamino)-5-methyl-2,5-dihydrofuran-3-carboxylate.
What is the SMILES notation for methyl 4-(carbamoylamino)-5-methyl-2,5-dihydrofuran-3-carboxylate?
The canonical SMILES for methyl 4-(carbamoylamino)-5-methyl-2,5-dihydrofuran-3-carboxylate is COC(=O)C1=C(NC(N)=O)C(C)OC1.
What is the InChIKey of methyl 4-(carbamoylamino)-5-methyl-2,5-dihydrofuran-3-carboxylate?
The InChIKey is XWUKDATYFZFCKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O4/c1-4-6(10-8(9)12)5(3-14-4)7(11)13-2/h4H,3H2,1-2H3,(H3,9,10,12).
What are the key properties of methyl 4-(carbamoylamino)-5-methyl-2,5-dihydrofuran-3-carboxylate?
methyl 4-(carbamoylamino)-5-methyl-2,5-dihydrofuran-3-carboxylate has a molecular weight of 200.19 g/mol, XLogP of -0.50, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(carbamoylamino)-5-methyl-2,5-dihydrofuran-3-carboxylate is sourced from PubChem (CID 175373687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).