[2-(carbamoylamino)-2-oxoethyl] 1-methylpyrrole-2-carboxylate

C9H11N3O4 — CID 5024305

IUPAC[2-(carbamoylamino)-2-oxoethyl] 1-methylpyrrole-2-carboxylate
SMILESCn1cccc1C(=O)OCC(=O)NC(N)=O
InChIInChI=1S/C9H11N3O4/c1-12-4-2-3-6(12)8(14)16-5-7(13)11-9(10)15/h2-4H,5H2,1H3,(H3,10,11,13,15)
InChIKeyGOGWDKNJACFZBP-UHFFFAOYSA-N
MW225.20 g/mol
LogP-0.62
Rot. Bonds3

About [2-(carbamoylamino)-2-oxoethyl] 1-methylpyrrole-2-carboxylate

[2-(carbamoylamino)-2-oxoethyl] 1-methylpyrrole-2-carboxylate (PubChem CID 5024305) has the molecular formula C9H11N3O4 and a molecular weight of 225.20 g/mol. Its IUPAC name is [2-(carbamoylamino)-2-oxoethyl] 1-methylpyrrole-2-carboxylate.

Molecular Properties

Compound Name[2-(carbamoylamino)-2-oxoethyl] 1-methylpyrrole-2-carboxylate
PubChem CID5024305
Molecular FormulaC9H11N3O4
Molecular Weight225.20 g/mol
Exact Mass225.07
IUPAC Name[2-(carbamoylamino)-2-oxoethyl] 1-methylpyrrole-2-carboxylate
SMILESCn1cccc1C(=O)OCC(=O)NC(N)=O
InChIInChI=1S/C9H11N3O4/c1-12-4-2-3-6(12)8(14)16-5-7(13)11-9(10)15/h2-4H,5H2,1H3,(H3,10,11,13,15)
InChIKeyGOGWDKNJACFZBP-UHFFFAOYSA-N
XLogP-0.62
TPSA103.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate
CID 2647715
[2-(2,6-dimethylanilino)-2-oxoethyl] 1-methylpyrrole-2-carboxylate
CID 2409973
[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 1-methylpyrrole-2-carboxylate
CID 2485089
[2-(benzhydrylamino)-2-oxoethyl] 1-methylpyrrole-2-carboxylate
CID 7284631
[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 1-methylpyrrole-2-carboxylate
CID 7228986
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 1-methylpyrrole-2-carboxylate
CID 7554474
[2-(cyclohexylamino)-2-oxoethyl] 1-methylpyrrole-2-carboxylate
CID 3977392
[2-(2,3-dimethylanilino)-2-oxoethyl] 1-methylpyrrole-2-carboxylate
CID 7284608
3-(1-methylpyrrole-2-carbonyl)oxypropyl 1-methylpyrrole-2-carboxylate
CID 55400779
[2-(1-adamantylcarbamoylamino)-2-oxoethyl] 1-methylpyrrole-2-carboxylate
CID 7228984
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 1-methylpyrrole-2-carboxylate
CID 2629196
[2-(2,4-dichloroanilino)-2-oxoethyl] 1-methylpyrrole-2-carboxylate
CID 2629236

Frequently Asked Questions

What is the IUPAC name of [2-(carbamoylamino)-2-oxoethyl] 1-methylpyrrole-2-carboxylate?
The IUPAC name of [2-(carbamoylamino)-2-oxoethyl] 1-methylpyrrole-2-carboxylate (CID 5024305) is [2-(carbamoylamino)-2-oxoethyl] 1-methylpyrrole-2-carboxylate.
What is the SMILES notation for [2-(carbamoylamino)-2-oxoethyl] 1-methylpyrrole-2-carboxylate?
The canonical SMILES for [2-(carbamoylamino)-2-oxoethyl] 1-methylpyrrole-2-carboxylate is Cn1cccc1C(=O)OCC(=O)NC(N)=O.
What is the InChIKey of [2-(carbamoylamino)-2-oxoethyl] 1-methylpyrrole-2-carboxylate?
The InChIKey is GOGWDKNJACFZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O4/c1-12-4-2-3-6(12)8(14)16-5-7(13)11-9(10)15/h2-4H,5H2,1H3,(H3,10,11,13,15).
What are the key properties of [2-(carbamoylamino)-2-oxoethyl] 1-methylpyrrole-2-carboxylate?
[2-(carbamoylamino)-2-oxoethyl] 1-methylpyrrole-2-carboxylate has a molecular weight of 225.20 g/mol, XLogP of -0.62, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(carbamoylamino)-2-oxoethyl] 1-methylpyrrole-2-carboxylate is sourced from PubChem (CID 5024305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).