[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] cyclobutanecarboxylate

C9H14N2O4 — CID 29201327

IUPAC[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] cyclobutanecarboxylate
SMILESC[C@@H](OC(=O)C1CCC1)C(=O)NC(N)=O
InChIInChI=1S/C9H14N2O4/c1-5(7(12)11-9(10)14)15-8(13)6-3-2-4-6/h5-6H,2-4H2,1H3,(H3,10,11,12,14)/t5-/m1/s1
InChIKeyIWEHLUGNFVYSGX-RXMQYKEDSA-N
MW214.22 g/mol
LogP-0.09
Rot. Bonds3

About [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] cyclobutanecarboxylate

[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] cyclobutanecarboxylate (PubChem CID 29201327) has the molecular formula C9H14N2O4 and a molecular weight of 214.22 g/mol. Its IUPAC name is [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] cyclobutanecarboxylate.

Molecular Properties

Compound Name[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] cyclobutanecarboxylate
PubChem CID29201327
Molecular FormulaC9H14N2O4
Molecular Weight214.22 g/mol
Exact Mass214.10
IUPAC Name[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] cyclobutanecarboxylate
SMILESC[C@@H](OC(=O)C1CCC1)C(=O)NC(N)=O
InChIInChI=1S/C9H14N2O4/c1-5(7(12)11-9(10)14)15-8(13)6-3-2-4-6/h5-6H,2-4H2,1H3,(H3,10,11,12,14)/t5-/m1/s1
InChIKeyIWEHLUGNFVYSGX-RXMQYKEDSA-N
XLogP-0.09
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(carbamoylamino)-1-oxopropan-2-yl] cyclopropanecarboxylate
CID 42970333
[(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
[1-(carbamoylamino)-1-oxopropan-2-yl] 1-(thiophene-2-carbonyl)piperidine-3-carboxylate
CID 55557016
[(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] cyclohexanecarboxylate
CID 40609067
[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] cyclobutanecarboxylate
CID 7717348
[(2S)-1-(1-adamantylamino)-1-oxopropan-2-yl] cyclopentanecarboxylate
CID 8020130
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] (2R)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxylate
CID 7617609
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
[1-(4-fluoroanilino)-1-oxopropan-2-yl] cyclopentanecarboxylate
CID 42900728

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] cyclobutanecarboxylate?
The IUPAC name of [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] cyclobutanecarboxylate (CID 29201327) is [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] cyclobutanecarboxylate.
What is the SMILES notation for [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] cyclobutanecarboxylate?
The canonical SMILES for [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] cyclobutanecarboxylate is C[C@@H](OC(=O)C1CCC1)C(=O)NC(N)=O.
What is the InChIKey of [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] cyclobutanecarboxylate?
The InChIKey is IWEHLUGNFVYSGX-RXMQYKEDSA-N. The full InChI is InChI=1S/C9H14N2O4/c1-5(7(12)11-9(10)14)15-8(13)6-3-2-4-6/h5-6H,2-4H2,1H3,(H3,10,11,12,14)/t5-/m1/s1.
What are the key properties of [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] cyclobutanecarboxylate?
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] cyclobutanecarboxylate has a molecular weight of 214.22 g/mol, XLogP of -0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] cyclobutanecarboxylate is sourced from PubChem (CID 29201327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).