[2-[[(2R,3S)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate

C14H20N2O6 — CID 8646299

IUPAC[2-[[(2R,3S)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate
SMILESCC[C@H](C)[C@@H](NC(=O)COC(=O)c1cc(C)no1)C(=O)OC
InChIInChI=1S/C14H20N2O6/c1-5-8(2)12(14(19)20-4)15-11(17)7-21-13(18)10-6-9(3)16-22-10/h6,8,12H,5,7H2,1-4H3,(H,15,17)/t8-,12+/m0/s1
InChIKeyUMNZIZCJXOHPDH-QPUJVOFHSA-N
MW312.32 g/mol
LogP0.84
Rot. Bonds7

About [2-[[(2R,3S)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate

[2-[[(2R,3S)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate (PubChem CID 8646299) has the molecular formula C14H20N2O6 and a molecular weight of 312.32 g/mol. Its IUPAC name is [2-[[(2R,3S)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate.

Molecular Properties

Compound Name[2-[[(2R,3S)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate
PubChem CID8646299
Molecular FormulaC14H20N2O6
Molecular Weight312.32 g/mol
Exact Mass312.13
IUPAC Name[2-[[(2R,3S)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate
SMILESCC[C@H](C)[C@@H](NC(=O)COC(=O)c1cc(C)no1)C(=O)OC
InChIInChI=1S/C14H20N2O6/c1-5-8(2)12(14(19)20-4)15-11(17)7-21-13(18)10-6-9(3)16-22-10/h6,8,12H,5,7H2,1-4H3,(H,15,17)/t8-,12+/m0/s1
InChIKeyUMNZIZCJXOHPDH-QPUJVOFHSA-N
XLogP0.84
TPSA107.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-[[(2R,3S)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate?
The IUPAC name of [2-[[(2R,3S)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate (CID 8646299) is [2-[[(2R,3S)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate.
What is the SMILES notation for [2-[[(2R,3S)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate?
The canonical SMILES for [2-[[(2R,3S)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate is CC[C@H](C)[C@@H](NC(=O)COC(=O)c1cc(C)no1)C(=O)OC.
What is the InChIKey of [2-[[(2R,3S)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate?
The InChIKey is UMNZIZCJXOHPDH-QPUJVOFHSA-N. The full InChI is InChI=1S/C14H20N2O6/c1-5-8(2)12(14(19)20-4)15-11(17)7-21-13(18)10-6-9(3)16-22-10/h6,8,12H,5,7H2,1-4H3,(H,15,17)/t8-,12+/m0/s1.
What are the key properties of [2-[[(2R,3S)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate?
[2-[[(2R,3S)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate has a molecular weight of 312.32 g/mol, XLogP of 0.84, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(2R,3S)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate is sourced from PubChem (CID 8646299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).