dimethyl (2R,4S)-2-propan-2-yl-1,3-oxazolidine-3,4-dicarboxylate

C10H17NO5 — CID 68860687

IUPACdimethyl (2R,4S)-2-propan-2-yl-1,3-oxazolidine-3,4-dicarboxylate
SMILESCOC(=O)[C@@H]1CO[C@H](C(C)C)N1C(=O)OC
InChIInChI=1S/C10H17NO5/c1-6(2)8-11(10(13)15-4)7(5-16-8)9(12)14-3/h6-8H,5H2,1-4H3/t7-,8+/m0/s1
InChIKeyRIBFIYIDOMNSLR-JGVFFNPUSA-N
MW231.25 g/mol
LogP0.61
Rot. Bonds2

About dimethyl (2R,4S)-2-propan-2-yl-1,3-oxazolidine-3,4-dicarboxylate

dimethyl (2R,4S)-2-propan-2-yl-1,3-oxazolidine-3,4-dicarboxylate (PubChem CID 68860687) has the molecular formula C10H17NO5 and a molecular weight of 231.25 g/mol. Its IUPAC name is dimethyl (2R,4S)-2-propan-2-yl-1,3-oxazolidine-3,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl (2R,4S)-2-propan-2-yl-1,3-oxazolidine-3,4-dicarboxylate
PubChem CID68860687
Molecular FormulaC10H17NO5
Molecular Weight231.25 g/mol
Exact Mass231.11
IUPAC Namedimethyl (2R,4S)-2-propan-2-yl-1,3-oxazolidine-3,4-dicarboxylate
SMILESCOC(=O)[C@@H]1CO[C@H](C(C)C)N1C(=O)OC
InChIInChI=1S/C10H17NO5/c1-6(2)8-11(10(13)15-4)7(5-16-8)9(12)14-3/h6-8H,5H2,1-4H3/t7-,8+/m0/s1
InChIKeyRIBFIYIDOMNSLR-JGVFFNPUSA-N
XLogP0.61
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

dimethyl (2S)-5-methoxypyrrolidine-1,2-dicarboxylate
CID 11053097
3-O-tert-butyl 4-O-methyl (4R)-2-tert-butyl-1,3-oxazolidine-3,4-dicarboxylate
CID 70948298
dimethyl 3,8-dioxa-1,6-diazabicyclo[4.4.1]undecane-5,10-dicarboxylate
CID 90845318
dimethyl (2S)-5,6-diacetyloxypiperidine-1,2-dicarboxylate
CID 11130914
dimethyl (2S,5S)-5-propylpyrrolidine-1,2-dicarboxylate
CID 14523837
3-methoxycarbonyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 63781303
methyl (1S,5S)-3-oxa-8-azabicyclo[3.2.1]oct-6-ene-8-carboxylate
CID 125474549
methyl 3-methyl-1,3-oxazolidine-4-carboxylate
CID 10701946
methyl 6,6-dimethyl-4-propan-2-ylmorpholine-3-carboxylate
CID 118118158
dimethyl 6-propylpiperidine-1,2-dicarboxylate
CID 71338696
methyl (2R)-5-oxo-1-propan-2-ylpyrrolidine-2-carboxylate
CID 124604356
methyl 3-(2-hydroxy-3,3-dimethylpentanoyl)-1,3-oxazolidine-4-carboxylate
CID 141015513

Frequently Asked Questions

What is the IUPAC name of dimethyl (2R,4S)-2-propan-2-yl-1,3-oxazolidine-3,4-dicarboxylate?
The IUPAC name of dimethyl (2R,4S)-2-propan-2-yl-1,3-oxazolidine-3,4-dicarboxylate (CID 68860687) is dimethyl (2R,4S)-2-propan-2-yl-1,3-oxazolidine-3,4-dicarboxylate.
What is the SMILES notation for dimethyl (2R,4S)-2-propan-2-yl-1,3-oxazolidine-3,4-dicarboxylate?
The canonical SMILES for dimethyl (2R,4S)-2-propan-2-yl-1,3-oxazolidine-3,4-dicarboxylate is COC(=O)[C@@H]1CO[C@H](C(C)C)N1C(=O)OC.
What is the InChIKey of dimethyl (2R,4S)-2-propan-2-yl-1,3-oxazolidine-3,4-dicarboxylate?
The InChIKey is RIBFIYIDOMNSLR-JGVFFNPUSA-N. The full InChI is InChI=1S/C10H17NO5/c1-6(2)8-11(10(13)15-4)7(5-16-8)9(12)14-3/h6-8H,5H2,1-4H3/t7-,8+/m0/s1.
What are the key properties of dimethyl (2R,4S)-2-propan-2-yl-1,3-oxazolidine-3,4-dicarboxylate?
dimethyl (2R,4S)-2-propan-2-yl-1,3-oxazolidine-3,4-dicarboxylate has a molecular weight of 231.25 g/mol, XLogP of 0.61, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (2R,4S)-2-propan-2-yl-1,3-oxazolidine-3,4-dicarboxylate is sourced from PubChem (CID 68860687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).