[1-(carbamoylamino)-1-oxopropan-2-yl] cyclopropanecarboxylate

C8H12N2O4 — CID 42970333

IUPAC[1-(carbamoylamino)-1-oxopropan-2-yl] cyclopropanecarboxylate
SMILESCC(OC(=O)C1CC1)C(=O)NC(N)=O
InChIInChI=1S/C8H12N2O4/c1-4(6(11)10-8(9)13)14-7(12)5-2-3-5/h4-5H,2-3H2,1H3,(H3,9,10,11,13)
InChIKeyPEFNZYCLPPMTJA-UHFFFAOYSA-N
MW200.19 g/mol
LogP-0.48
Rot. Bonds3

About [1-(carbamoylamino)-1-oxopropan-2-yl] cyclopropanecarboxylate

[1-(carbamoylamino)-1-oxopropan-2-yl] cyclopropanecarboxylate (PubChem CID 42970333) has the molecular formula C8H12N2O4 and a molecular weight of 200.19 g/mol. Its IUPAC name is [1-(carbamoylamino)-1-oxopropan-2-yl] cyclopropanecarboxylate.

Molecular Properties

Compound Name[1-(carbamoylamino)-1-oxopropan-2-yl] cyclopropanecarboxylate
PubChem CID42970333
Molecular FormulaC8H12N2O4
Molecular Weight200.19 g/mol
Exact Mass200.08
IUPAC Name[1-(carbamoylamino)-1-oxopropan-2-yl] cyclopropanecarboxylate
SMILESCC(OC(=O)C1CC1)C(=O)NC(N)=O
InChIInChI=1S/C8H12N2O4/c1-4(6(11)10-8(9)13)14-7(12)5-2-3-5/h4-5H,2-3H2,1H3,(H3,9,10,11,13)
InChIKeyPEFNZYCLPPMTJA-UHFFFAOYSA-N
XLogP-0.48
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] cyclobutanecarboxylate
CID 29201327
[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] cyclopropanecarboxylate
CID 7863511
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate
CID 2482379
propan-2-yl cyclopropanecarboxylate
CID 550170
[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 4-tert-butylcyclohexane-1-carboxylate
CID 40620132
[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 4-tert-butylcyclohexane-1-carboxylate
CID 40620131
[(2R)-1-anilino-1-oxopropan-2-yl] cyclopropanecarboxylate
CID 2511050
[1-(carbamoylamino)-1-oxopropan-2-yl] 1-(thiophene-2-carbonyl)piperidine-3-carboxylate
CID 55557016
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] (3R)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7466429
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] (2R)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxylate
CID 7617609
[(2S)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl] cyclopropanecarboxylate
CID 2396184
[(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] cyclohexanecarboxylate
CID 40609067

Frequently Asked Questions

What is the IUPAC name of [1-(carbamoylamino)-1-oxopropan-2-yl] cyclopropanecarboxylate?
The IUPAC name of [1-(carbamoylamino)-1-oxopropan-2-yl] cyclopropanecarboxylate (CID 42970333) is [1-(carbamoylamino)-1-oxopropan-2-yl] cyclopropanecarboxylate.
What is the SMILES notation for [1-(carbamoylamino)-1-oxopropan-2-yl] cyclopropanecarboxylate?
The canonical SMILES for [1-(carbamoylamino)-1-oxopropan-2-yl] cyclopropanecarboxylate is CC(OC(=O)C1CC1)C(=O)NC(N)=O.
What is the InChIKey of [1-(carbamoylamino)-1-oxopropan-2-yl] cyclopropanecarboxylate?
The InChIKey is PEFNZYCLPPMTJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O4/c1-4(6(11)10-8(9)13)14-7(12)5-2-3-5/h4-5H,2-3H2,1H3,(H3,9,10,11,13).
What are the key properties of [1-(carbamoylamino)-1-oxopropan-2-yl] cyclopropanecarboxylate?
[1-(carbamoylamino)-1-oxopropan-2-yl] cyclopropanecarboxylate has a molecular weight of 200.19 g/mol, XLogP of -0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(carbamoylamino)-1-oxopropan-2-yl] cyclopropanecarboxylate is sourced from PubChem (CID 42970333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).