[(2S)-1-methoxy-1-oxopropan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate

C12H21NO5 — CID 100997053

IUPAC[(2S)-1-methoxy-1-oxopropan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
SMILESCOC(=O)[C@H](C)OC(=O)N1C(C)(C)COC1(C)C
InChIInChI=1S/C12H21NO5/c1-8(9(14)16-6)18-10(15)13-11(2,3)7-17-12(13,4)5/h8H,7H2,1-6H3/t8-/m0/s1
InChIKeyKUPWLJNQUZPQDK-QMMMGPOBSA-N
MW259.30 g/mol
LogP1.53
Rot. Bonds2

About [(2S)-1-methoxy-1-oxopropan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate

[(2S)-1-methoxy-1-oxopropan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 100997053) has the molecular formula C12H21NO5 and a molecular weight of 259.30 g/mol. Its IUPAC name is [(2S)-1-methoxy-1-oxopropan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Name[(2S)-1-methoxy-1-oxopropan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
PubChem CID100997053
Molecular FormulaC12H21NO5
Molecular Weight259.30 g/mol
Exact Mass259.14
IUPAC Name[(2S)-1-methoxy-1-oxopropan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
SMILESCOC(=O)[C@H](C)OC(=O)N1C(C)(C)COC1(C)C
InChIInChI=1S/C12H21NO5/c1-8(9(14)16-6)18-10(15)13-11(2,3)7-17-12(13,4)5/h8H,7H2,1-6H3/t8-/m0/s1
InChIKeyKUPWLJNQUZPQDK-QMMMGPOBSA-N
XLogP1.53
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-methoxy-1-oxopropan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of [(2S)-1-methoxy-1-oxopropan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate (CID 100997053) is [(2S)-1-methoxy-1-oxopropan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for [(2S)-1-methoxy-1-oxopropan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for [(2S)-1-methoxy-1-oxopropan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate is COC(=O)[C@H](C)OC(=O)N1C(C)(C)COC1(C)C.
What is the InChIKey of [(2S)-1-methoxy-1-oxopropan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is KUPWLJNQUZPQDK-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H21NO5/c1-8(9(14)16-6)18-10(15)13-11(2,3)7-17-12(13,4)5/h8H,7H2,1-6H3/t8-/m0/s1.
What are the key properties of [(2S)-1-methoxy-1-oxopropan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate?
[(2S)-1-methoxy-1-oxopropan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 259.30 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-methoxy-1-oxopropan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 100997053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).