[1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3-methoxybenzoate

C13H16N2O5 — CID 16522210

IUPAC[1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3-methoxybenzoate
SMILESCNC(=O)NC(=O)C(C)OC(=O)c1cccc(OC)c1
InChIInChI=1S/C13H16N2O5/c1-8(11(16)15-13(18)14-2)20-12(17)9-5-4-6-10(7-9)19-3/h4-8H,1-3H3,(H2,14,15,16,18)
InChIKeySMAVQZDDKCJTCX-UHFFFAOYSA-N
MW280.28 g/mol
LogP0.70
Rot. Bonds4

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

[1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3-methoxybenzoate (PubChem CID 16522210) has the molecular formula C13H16N2O5 and a molecular weight of 280.28 g/mol. Its IUPAC name is [1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3-methoxybenzoate.

Molecular Properties

Compound Name[1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3-methoxybenzoate
PubChem CID16522210
Molecular FormulaC13H16N2O5
Molecular Weight280.28 g/mol
Exact Mass280.11
IUPAC Name[1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3-methoxybenzoate
SMILESCNC(=O)NC(=O)C(C)OC(=O)c1cccc(OC)c1
InChIInChI=1S/C13H16N2O5/c1-8(11(16)15-13(18)14-2)20-12(17)9-5-4-6-10(7-9)19-3/h4-8H,1-3H3,(H2,14,15,16,18)
InChIKeySMAVQZDDKCJTCX-UHFFFAOYSA-N
XLogP0.70
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3-methoxybenzoate with MolForge

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Related Compounds

[1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 3-methoxybenzoate
CID 46668075
[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3-phenylmethoxybenzoate
CID 7299042
[1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3-methoxy-4-methylbenzoate
CID 46626776
[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-fluoro-4-methoxybenzoate
CID 8509276
[1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3,4-dimethylbenzoate
CID 16527951
[1-(2-chloroanilino)-1-oxopropan-2-yl] 3-methoxybenzoate
CID 5227047
[(2R)-1-(2-cyanoanilino)-1-oxopropan-2-yl] 3-methoxybenzoate
CID 7986057
[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 4-aminobenzoate
CID 7781123
[1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3,5-dichlorobenzoate
CID 16523243
1-O-methyl 2-O-[1-(methylcarbamoylamino)-1-oxopropan-2-yl] benzene-1,2-dicarboxylate
CID 56504468
[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 4-iodobenzoate
CID 7860454
[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 4-ethoxybenzoate
CID 7751721

Frequently Asked Questions

What is the IUPAC name of [1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3-methoxybenzoate?
The IUPAC name of [1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3-methoxybenzoate (CID 16522210) is [1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3-methoxybenzoate.
What is the SMILES notation for [1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3-methoxybenzoate?
The canonical SMILES for [1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3-methoxybenzoate is CNC(=O)NC(=O)C(C)OC(=O)c1cccc(OC)c1.
What is the InChIKey of [1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3-methoxybenzoate?
The InChIKey is SMAVQZDDKCJTCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O5/c1-8(11(16)15-13(18)14-2)20-12(17)9-5-4-6-10(7-9)19-3/h4-8H,1-3H3,(H2,14,15,16,18).
What are the key properties of [1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3-methoxybenzoate?
[1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3-methoxybenzoate has a molecular weight of 280.28 g/mol, XLogP of 0.70, 4 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] 3-methoxybenzoate is sourced from PubChem (CID 16522210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).