[1-(methylcarbamoylamino)-1-oxopropan-2-yl] 5-bromofuran-2-carboxylate

C10H11BrN2O5 — CID 18777352

IUPAC[1-(methylcarbamoylamino)-1-oxopropan-2-yl] 5-bromofuran-2-carboxylate
SMILESCNC(=O)NC(=O)C(C)OC(=O)c1ccc(Br)o1
InChIInChI=1S/C10H11BrN2O5/c1-5(8(14)13-10(16)12-2)17-9(15)6-3-4-7(11)18-6/h3-5H,1-2H3,(H2,12,13,14,16)
InChIKeyUTWKLQCCTHMALS-UHFFFAOYSA-N
MW319.11 g/mol
LogP1.04
Rot. Bonds3

About [1-(methylcarbamoylamino)-1-oxopropan-2-yl] 5-bromofuran-2-carboxylate

[1-(methylcarbamoylamino)-1-oxopropan-2-yl] 5-bromofuran-2-carboxylate (PubChem CID 18777352) has the molecular formula C10H11BrN2O5 and a molecular weight of 319.11 g/mol. Its IUPAC name is [1-(methylcarbamoylamino)-1-oxopropan-2-yl] 5-bromofuran-2-carboxylate.

Molecular Properties

Compound Name[1-(methylcarbamoylamino)-1-oxopropan-2-yl] 5-bromofuran-2-carboxylate
PubChem CID18777352
Molecular FormulaC10H11BrN2O5
Molecular Weight319.11 g/mol
Exact Mass317.99
IUPAC Name[1-(methylcarbamoylamino)-1-oxopropan-2-yl] 5-bromofuran-2-carboxylate
SMILESCNC(=O)NC(=O)C(C)OC(=O)c1ccc(Br)o1
InChIInChI=1S/C10H11BrN2O5/c1-5(8(14)13-10(16)12-2)17-9(15)6-3-4-7(11)18-6/h3-5H,1-2H3,(H2,12,13,14,16)
InChIKeyUTWKLQCCTHMALS-UHFFFAOYSA-N
XLogP1.04
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.11
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(4-acetamidoanilino)-1-oxopropan-2-yl] 5-bromofuran-2-carboxylate
CID 3677015
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 5-bromofuran-2-carboxylate
CID 2628765
[1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 5-bromofuran-2-carboxylate
CID 46618582
[1-(3,5-dichloroanilino)-1-oxopropan-2-yl] 5-bromofuran-2-carboxylate
CID 5123000
[(2R)-1-oxo-1-[[(2R)-4-phenylbutan-2-yl]amino]propan-2-yl] 5-bromofuran-2-carboxylate
CID 7716869
[(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 5-bromofuran-2-carboxylate
CID 8014119
[(2S)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 5-bromofuran-2-carboxylate
CID 7716872
[(2R)-1-[2-(cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl] 5-bromofuran-2-carboxylate
CID 8014141
[1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-bromo-4-fluorobenzoate
CID 46613799
[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 4-(propan-2-yloxymethyl)benzoate
CID 8985824
[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-bromo-4-fluorobenzoate
CID 8837440
[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-bromo-4-fluorobenzoate
CID 8837439

Frequently Asked Questions

What is the IUPAC name of [1-(methylcarbamoylamino)-1-oxopropan-2-yl] 5-bromofuran-2-carboxylate?
The IUPAC name of [1-(methylcarbamoylamino)-1-oxopropan-2-yl] 5-bromofuran-2-carboxylate (CID 18777352) is [1-(methylcarbamoylamino)-1-oxopropan-2-yl] 5-bromofuran-2-carboxylate.
What is the SMILES notation for [1-(methylcarbamoylamino)-1-oxopropan-2-yl] 5-bromofuran-2-carboxylate?
The canonical SMILES for [1-(methylcarbamoylamino)-1-oxopropan-2-yl] 5-bromofuran-2-carboxylate is CNC(=O)NC(=O)C(C)OC(=O)c1ccc(Br)o1.
What is the InChIKey of [1-(methylcarbamoylamino)-1-oxopropan-2-yl] 5-bromofuran-2-carboxylate?
The InChIKey is UTWKLQCCTHMALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O5/c1-5(8(14)13-10(16)12-2)17-9(15)6-3-4-7(11)18-6/h3-5H,1-2H3,(H2,12,13,14,16).
What are the key properties of [1-(methylcarbamoylamino)-1-oxopropan-2-yl] 5-bromofuran-2-carboxylate?
[1-(methylcarbamoylamino)-1-oxopropan-2-yl] 5-bromofuran-2-carboxylate has a molecular weight of 319.11 g/mol, XLogP of 1.04, 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] 5-bromofuran-2-carboxylate is sourced from PubChem (CID 18777352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).