3-O-benzyl 4-O-methyl (4S)-1,3-oxazolidine-3,4-dicarboxylate

C13H15NO5 — CID 14630870

IUPAC3-O-benzyl 4-O-methyl (4S)-1,3-oxazolidine-3,4-dicarboxylate
SMILESCOC(=O)[C@@H]1COCN1C(=O)OCc1ccccc1
InChIInChI=1S/C13H15NO5/c1-17-12(15)11-8-18-9-14(11)13(16)19-7-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3/t11-/m0/s1
InChIKeyKAUPOLAFYURMQR-NSHDSACASA-N
MW265.26 g/mol
LogP1.15
Rot. Bonds3

About 3-O-benzyl 4-O-methyl (4S)-1,3-oxazolidine-3,4-dicarboxylate

3-O-benzyl 4-O-methyl (4S)-1,3-oxazolidine-3,4-dicarboxylate (PubChem CID 14630870) has the molecular formula C13H15NO5 and a molecular weight of 265.26 g/mol. Its IUPAC name is 3-O-benzyl 4-O-methyl (4S)-1,3-oxazolidine-3,4-dicarboxylate.

Molecular Properties

Compound Name3-O-benzyl 4-O-methyl (4S)-1,3-oxazolidine-3,4-dicarboxylate
PubChem CID14630870
Molecular FormulaC13H15NO5
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC Name3-O-benzyl 4-O-methyl (4S)-1,3-oxazolidine-3,4-dicarboxylate
SMILESCOC(=O)[C@@H]1COCN1C(=O)OCc1ccccc1
InChIInChI=1S/C13H15NO5/c1-17-12(15)11-8-18-9-14(11)13(16)19-7-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3/t11-/m0/s1
InChIKeyKAUPOLAFYURMQR-NSHDSACASA-N
XLogP1.15
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4S)-3-phenylmethoxycarbonyl-1,3-oxazolidine-4-carboxylic acid
CID 688328
benzyl (4R)-4-[(2,6-dimethylphenyl)carbamoyl]-1,3-oxazolidine-3-carboxylate
CID 53243017
benzyl (4S)-4-[(E)-3-(diethylamino)prop-2-enoyl]-1,3-oxazolidine-3-carboxylate
CID 15487455
1-O-benzyl 2-O-methyl 4,4-difluoropyrrolidine-1,2-dicarboxylate
CID 21054036
1-O-benzyl 2-O-methyl (2R)-4,4-difluoropyrrolidine-1,2-dicarboxylate
CID 95180475
1-O-benzyl 2-O,4-O-dimethyl (2S)-pyrrolidine-1,2,4-tricarboxylate
CID 18391513
1-O-benzyl 2-O-methyl 5-hydroxypiperidine-1,2-dicarboxylate
CID 14081061
1-O-benzyl 2-O-methyl 5-oxopyrrolidine-1,2-dicarboxylate
CID 11196673
1-O-benzyl 2-O-methyl piperazine-1,2-dicarboxylate
CID 14751355
1-O-benzyl 2-O-methyl (2S,3R)-3-hydroxypyrrolidine-1,2-dicarboxylate
CID 169448826
methyl (2S)-1-[(2S)-1-phenylmethoxycarbonylpyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate
CID 12859190
methyl (2S)-1-[(2R)-1-phenylmethoxycarbonylpyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate
CID 118687273

Frequently Asked Questions

What is the IUPAC name of 3-O-benzyl 4-O-methyl (4S)-1,3-oxazolidine-3,4-dicarboxylate?
The IUPAC name of 3-O-benzyl 4-O-methyl (4S)-1,3-oxazolidine-3,4-dicarboxylate (CID 14630870) is 3-O-benzyl 4-O-methyl (4S)-1,3-oxazolidine-3,4-dicarboxylate.
What is the SMILES notation for 3-O-benzyl 4-O-methyl (4S)-1,3-oxazolidine-3,4-dicarboxylate?
The canonical SMILES for 3-O-benzyl 4-O-methyl (4S)-1,3-oxazolidine-3,4-dicarboxylate is COC(=O)[C@@H]1COCN1C(=O)OCc1ccccc1.
What is the InChIKey of 3-O-benzyl 4-O-methyl (4S)-1,3-oxazolidine-3,4-dicarboxylate?
The InChIKey is KAUPOLAFYURMQR-NSHDSACASA-N. The full InChI is InChI=1S/C13H15NO5/c1-17-12(15)11-8-18-9-14(11)13(16)19-7-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3/t11-/m0/s1.
What are the key properties of 3-O-benzyl 4-O-methyl (4S)-1,3-oxazolidine-3,4-dicarboxylate?
3-O-benzyl 4-O-methyl (4S)-1,3-oxazolidine-3,4-dicarboxylate has a molecular weight of 265.26 g/mol, XLogP of 1.15, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-O-benzyl 4-O-methyl (4S)-1,3-oxazolidine-3,4-dicarboxylate is sourced from PubChem (CID 14630870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).