2-benzyl-3-methyl-1,2-oxazolidine-4,5-dicarboxylic acid

C13H15NO5 — CID 90849042

IUPAC2-benzyl-3-methyl-1,2-oxazolidine-4,5-dicarboxylic acid
SMILESCC1C(C(=O)O)C(C(=O)O)ON1Cc1ccccc1
InChIInChI=1S/C13H15NO5/c1-8-10(12(15)16)11(13(17)18)19-14(8)7-9-5-3-2-4-6-9/h2-6,8,10-11H,7H2,1H3,(H,15,16)(H,17,18)
InChIKeyMHZORESSPKXYHQ-UHFFFAOYSA-N
MW265.26 g/mol
LogP0.98
Rot. Bonds4

About 2-benzyl-3-methyl-1,2-oxazolidine-4,5-dicarboxylic acid

2-benzyl-3-methyl-1,2-oxazolidine-4,5-dicarboxylic acid (PubChem CID 90849042) has the molecular formula C13H15NO5 and a molecular weight of 265.26 g/mol. Its IUPAC name is 2-benzyl-3-methyl-1,2-oxazolidine-4,5-dicarboxylic acid.

Molecular Properties

Compound Name2-benzyl-3-methyl-1,2-oxazolidine-4,5-dicarboxylic acid
PubChem CID90849042
Molecular FormulaC13H15NO5
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC Name2-benzyl-3-methyl-1,2-oxazolidine-4,5-dicarboxylic acid
SMILESCC1C(C(=O)O)C(C(=O)O)ON1Cc1ccccc1
InChIInChI=1S/C13H15NO5/c1-8-10(12(15)16)11(13(17)18)19-14(8)7-9-5-3-2-4-6-9/h2-6,8,10-11H,7H2,1H3,(H,15,16)(H,17,18)
InChIKeyMHZORESSPKXYHQ-UHFFFAOYSA-N
XLogP0.98
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-benzyl-3-methyl-1,2-oxazolidine-4,5-dicarboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

diethyl (4S,5R)-2-benzyl-1,2-oxazolidine-4,5-dicarboxylate
CID 23583730
(2R)-4-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]oxy-2-hydroxy-4-oxobutanoic acid
CID 129230206
(2R)-4-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]oxy-2-hydroxy-4-oxobutanoic acid
CID 132143317
dimethyl (3S,4S,5R)-2-methyl-3-(4-methylphenyl)-1,2-oxazolidine-4,5-dicarboxylate
CID 91603229
methyl (3S,4R)-1-benzyl-5-ethenyl-4-hydroxypyrrolidine-3-carboxylate
CID 134856825
Dimethyl cis-2-methyl-3-p-tolylisoxazolidine-4,5-dicarboxylate
CID 139076309
Ethyl 1-benzyl-4-hydroxy-2-methyl-5-oxopyrrolidine-3-carboxylate
CID 139078707
(4R,5S)-2-Benzyl-isoxazolidine-4,5-dicarboxylic acid diethyl ester RACEMATE
CID 59842032
diethyl (4S,5S)-2-benzyl-1,2-oxazolidine-4,5-dicarboxylate
CID 124650897
2(S)-hydroxy-3(R)-[2(R/S)-phenyl-pyrrolidine-1-carbonyl)-heptanoic acid
CID 131727707
Ethyl 1-benzyl-4,5-dihydroxypyrrolidine-3-carboxylate
CID 142693764
1-Benzyl-2,5-dihydroxypyrrolidine-3-carboxylic acid
CID 175324603

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-methyl-1,2-oxazolidine-4,5-dicarboxylic acid?
The IUPAC name of 2-benzyl-3-methyl-1,2-oxazolidine-4,5-dicarboxylic acid (CID 90849042) is 2-benzyl-3-methyl-1,2-oxazolidine-4,5-dicarboxylic acid.
What is the SMILES notation for 2-benzyl-3-methyl-1,2-oxazolidine-4,5-dicarboxylic acid?
The canonical SMILES for 2-benzyl-3-methyl-1,2-oxazolidine-4,5-dicarboxylic acid is CC1C(C(=O)O)C(C(=O)O)ON1Cc1ccccc1.
What is the InChIKey of 2-benzyl-3-methyl-1,2-oxazolidine-4,5-dicarboxylic acid?
The InChIKey is MHZORESSPKXYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO5/c1-8-10(12(15)16)11(13(17)18)19-14(8)7-9-5-3-2-4-6-9/h2-6,8,10-11H,7H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-benzyl-3-methyl-1,2-oxazolidine-4,5-dicarboxylic acid?
2-benzyl-3-methyl-1,2-oxazolidine-4,5-dicarboxylic acid has a molecular weight of 265.26 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-methyl-1,2-oxazolidine-4,5-dicarboxylic acid is sourced from PubChem (CID 90849042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).