[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate

C11H15N3O5 — CID 2113705

IUPAC[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
SMILESCNC(=O)NC(=O)[C@H](C)OC(=O)c1c(C)noc1C
InChIInChI=1S/C11H15N3O5/c1-5-8(6(2)19-14-5)10(16)18-7(3)9(15)13-11(17)12-4/h7H,1-4H3,(H2,12,13,15,17)/t7-/m0/s1
InChIKeyZWDHPIIJDUVXNP-ZETCQYMHSA-N
MW269.26 g/mol
LogP0.29
Rot. Bonds3

About [(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate

[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate (PubChem CID 2113705) has the molecular formula C11H15N3O5 and a molecular weight of 269.26 g/mol. Its IUPAC name is [(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Name[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
PubChem CID2113705
Molecular FormulaC11H15N3O5
Molecular Weight269.26 g/mol
Exact Mass269.10
IUPAC Name[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
SMILESCNC(=O)NC(=O)[C@H](C)OC(=O)c1c(C)noc1C
InChIInChI=1S/C11H15N3O5/c1-5-8(6(2)19-14-5)10(16)18-7(3)9(15)13-11(17)12-4/h7H,1-4H3,(H2,12,13,15,17)/t7-/m0/s1
InChIKeyZWDHPIIJDUVXNP-ZETCQYMHSA-N
XLogP0.29
TPSA110.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate?
The IUPAC name of [(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate (CID 2113705) is [(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for [(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for [(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate is CNC(=O)NC(=O)[C@H](C)OC(=O)c1c(C)noc1C.
What is the InChIKey of [(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate?
The InChIKey is ZWDHPIIJDUVXNP-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H15N3O5/c1-5-8(6(2)19-14-5)10(16)18-7(3)9(15)13-11(17)12-4/h7H,1-4H3,(H2,12,13,15,17)/t7-/m0/s1.
What are the key properties of [(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate?
[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate has a molecular weight of 269.26 g/mol, XLogP of 0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 2113705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).