[1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate

C11H14N2O5 — CID 46822727

IUPAC[1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate
SMILESCNC(=O)NC(=O)C(C)OC(=O)c1ccoc1C
InChIInChI=1S/C11H14N2O5/c1-6-8(4-5-17-6)10(15)18-7(2)9(14)13-11(16)12-3/h4-5,7H,1-3H3,(H2,12,13,14,16)
InChIKeyAMTGNRLWFZZIOU-UHFFFAOYSA-N
MW254.24 g/mol
LogP0.59
Rot. Bonds3

About [1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate

[1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate (PubChem CID 46822727) has the molecular formula C11H14N2O5 and a molecular weight of 254.24 g/mol. Its IUPAC name is [1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate.

Molecular Properties

Compound Name[1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate
PubChem CID46822727
Molecular FormulaC11H14N2O5
Molecular Weight254.24 g/mol
Exact Mass254.09
IUPAC Name[1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate
SMILESCNC(=O)NC(=O)C(C)OC(=O)c1ccoc1C
InChIInChI=1S/C11H14N2O5/c1-6-8(4-5-17-6)10(15)18-7(2)9(14)13-11(16)12-3/h4-5,7H,1-3H3,(H2,12,13,14,16)
InChIKeyAMTGNRLWFZZIOU-UHFFFAOYSA-N
XLogP0.59
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate
CID 43031206
[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate
CID 17443893
[(2R)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate
CID 9384720
1-O-methyl 2-O-[1-(methylcarbamoylamino)-1-oxopropan-2-yl] benzene-1,2-dicarboxylate
CID 56504468
[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2,5-dimethylbenzoate
CID 8535106
[(2S)-1-(4-chloroanilino)-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate
CID 8968580
[1-(4-bromoanilino)-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate
CID 55385781
[(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate
CID 8968404
[1-(1-adamantylamino)-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate
CID 17477026
[(2S)-1-(benzylamino)-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate
CID 7663588
[(2R)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate
CID 9384726
[1-(4-ethylanilino)-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate
CID 18197418

Frequently Asked Questions

What is the IUPAC name of [1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate?
The IUPAC name of [1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate (CID 46822727) is [1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate.
What is the SMILES notation for [1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate?
The canonical SMILES for [1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate is CNC(=O)NC(=O)C(C)OC(=O)c1ccoc1C.
What is the InChIKey of [1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate?
The InChIKey is AMTGNRLWFZZIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O5/c1-6-8(4-5-17-6)10(15)18-7(2)9(14)13-11(16)12-3/h4-5,7H,1-3H3,(H2,12,13,14,16).
What are the key properties of [1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate?
[1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate has a molecular weight of 254.24 g/mol, XLogP of 0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate is sourced from PubChem (CID 46822727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).