tetramethyl (4R,5R)-2-methyl-1,2-oxazolidine-3,3,4,5-tetracarboxylate

C12H17NO9 — CID 23260823

IUPACtetramethyl (4R,5R)-2-methyl-1,2-oxazolidine-3,3,4,5-tetracarboxylate
SMILESCOC(=O)[C@@H]1ON(C)C(C(=O)OC)(C(=O)OC)[C@H]1C(=O)OC
InChIInChI=1S/C12H17NO9/c1-13-12(10(16)20-4,11(17)21-5)6(8(14)18-2)7(22-13)9(15)19-3/h6-7H,1-5H3/t6-,7-/m1/s1
InChIKeyYSEGDGGEHBXWEE-RNFRBKRXSA-N
MW319.27 g/mol
LogP-1.72
Rot. Bonds4

About tetramethyl (4R,5R)-2-methyl-1,2-oxazolidine-3,3,4,5-tetracarboxylate

tetramethyl (4R,5R)-2-methyl-1,2-oxazolidine-3,3,4,5-tetracarboxylate (PubChem CID 23260823) has the molecular formula C12H17NO9 and a molecular weight of 319.27 g/mol. Its IUPAC name is tetramethyl (4R,5R)-2-methyl-1,2-oxazolidine-3,3,4,5-tetracarboxylate.

Molecular Properties

Compound Nametetramethyl (4R,5R)-2-methyl-1,2-oxazolidine-3,3,4,5-tetracarboxylate
PubChem CID23260823
Molecular FormulaC12H17NO9
Molecular Weight319.27 g/mol
Exact Mass319.09
IUPAC Nametetramethyl (4R,5R)-2-methyl-1,2-oxazolidine-3,3,4,5-tetracarboxylate
SMILESCOC(=O)[C@@H]1ON(C)C(C(=O)OC)(C(=O)OC)[C@H]1C(=O)OC
InChIInChI=1S/C12H17NO9/c1-13-12(10(16)20-4,11(17)21-5)6(8(14)18-2)7(22-13)9(15)19-3/h6-7H,1-5H3/t6-,7-/m1/s1
InChIKeyYSEGDGGEHBXWEE-RNFRBKRXSA-N
XLogP-1.72
TPSA117.67 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.27
LogP ≤ 5-1.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

CID 10691592
CID 10691592
dimethyl 2-iodo-1,3-dioxolane-4,5-dicarboxylate
CID 130308368
methyl (4R,5R)-3,4-dimethyl-4,5-dihydro-1,2-oxazole-5-carboxylate
CID 45090268
methyl (2R,3R,4R,5S,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxylate
CID 124708413
dimethyl 1-methylcyclopropane-1,2-dicarboxylate
CID 574541
dimethyl 1,4-dimethyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylate
CID 5081715
methyl 3-bromo-2,2-dimethylcyclopropane-1-carboxylate
CID 549186
trimethyl 2-hydroxy-6,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylate
CID 102050295
dimethyl 3,3-dimethyl-2,2,4,4-tetraoxo-1,5,2,4-dioxadithiepane-6,7-dicarboxylate
CID 134599892
methyl (2R,3S,4S,5R)-3,4,5-trihydroxyoxane-2-carboxylate
CID 100924414
trimethyl (2S,3aR,4S,5R)-4-(2-oxopropyl)-2,3,4,5-tetrahydro-[1,2]oxazolo[2,3-b][1,2]oxazole-2,3a,5-tricarboxylate
CID 98420271
cis-(1R,3S)-3-methoxycarbonyl-2,2-dimethylcyclopropane-1-carboxylic acid
CID 13041474

Frequently Asked Questions

What is the IUPAC name of tetramethyl (4R,5R)-2-methyl-1,2-oxazolidine-3,3,4,5-tetracarboxylate?
The IUPAC name of tetramethyl (4R,5R)-2-methyl-1,2-oxazolidine-3,3,4,5-tetracarboxylate (CID 23260823) is tetramethyl (4R,5R)-2-methyl-1,2-oxazolidine-3,3,4,5-tetracarboxylate.
What is the SMILES notation for tetramethyl (4R,5R)-2-methyl-1,2-oxazolidine-3,3,4,5-tetracarboxylate?
The canonical SMILES for tetramethyl (4R,5R)-2-methyl-1,2-oxazolidine-3,3,4,5-tetracarboxylate is COC(=O)[C@@H]1ON(C)C(C(=O)OC)(C(=O)OC)[C@H]1C(=O)OC.
What is the InChIKey of tetramethyl (4R,5R)-2-methyl-1,2-oxazolidine-3,3,4,5-tetracarboxylate?
The InChIKey is YSEGDGGEHBXWEE-RNFRBKRXSA-N. The full InChI is InChI=1S/C12H17NO9/c1-13-12(10(16)20-4,11(17)21-5)6(8(14)18-2)7(22-13)9(15)19-3/h6-7H,1-5H3/t6-,7-/m1/s1.
What are the key properties of tetramethyl (4R,5R)-2-methyl-1,2-oxazolidine-3,3,4,5-tetracarboxylate?
tetramethyl (4R,5R)-2-methyl-1,2-oxazolidine-3,3,4,5-tetracarboxylate has a molecular weight of 319.27 g/mol, XLogP of -1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tetramethyl (4R,5R)-2-methyl-1,2-oxazolidine-3,3,4,5-tetracarboxylate is sourced from PubChem (CID 23260823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).