benzyl (5S)-3-methyl-2-oxo-1,3-oxazolidine-5-carboxylate

C12H13NO4 — CID 14443169

IUPACbenzyl (5S)-3-methyl-2-oxo-1,3-oxazolidine-5-carboxylate
SMILESCN1C[C@@H](C(=O)OCc2ccccc2)OC1=O
InChIInChI=1S/C12H13NO4/c1-13-7-10(17-12(13)15)11(14)16-8-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3/t10-/m0/s1
InChIKeyZEQCAOVLVRAHFN-JTQLQIEISA-N
MW235.24 g/mol
LogP1.18
Rot. Bonds3

About benzyl (5S)-3-methyl-2-oxo-1,3-oxazolidine-5-carboxylate

benzyl (5S)-3-methyl-2-oxo-1,3-oxazolidine-5-carboxylate (PubChem CID 14443169) has the molecular formula C12H13NO4 and a molecular weight of 235.24 g/mol. Its IUPAC name is benzyl (5S)-3-methyl-2-oxo-1,3-oxazolidine-5-carboxylate.

Molecular Properties

Compound Namebenzyl (5S)-3-methyl-2-oxo-1,3-oxazolidine-5-carboxylate
PubChem CID14443169
Molecular FormulaC12H13NO4
Molecular Weight235.24 g/mol
Exact Mass235.08
IUPAC Namebenzyl (5S)-3-methyl-2-oxo-1,3-oxazolidine-5-carboxylate
SMILESCN1C[C@@H](C(=O)OCc2ccccc2)OC1=O
InChIInChI=1S/C12H13NO4/c1-13-7-10(17-12(13)15)11(14)16-8-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3/t10-/m0/s1
InChIKeyZEQCAOVLVRAHFN-JTQLQIEISA-N
XLogP1.18
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl (4R)-1-methyl-2-oxoimidazolidine-4-carboxylate
CID 50999035
argon;benzyl N-methylcarbamate;(5R)-5-(hydroxymethyl)-3-methyl-1,3-oxazolidin-2-one;methane
CID 160884914
benzyl 2-oxo-1,3-dioxane-4-carboxylate
CID 140663600
benzyl 3-[(5-chloro-2-pyridinyl)carbamoyl]-2-oxo-1,3-oxazolidine-5-carboxylate
CID 141387156
benzyl 2,5-dioxocyclopentane-1-carboxylate
CID 59459130
benzyl dioxepane-3-carboxylate
CID 174990901
4-O-benzyl 3-O-ethyl 5-methyl-2-oxo-1,3-oxazolidine-3,4-dicarboxylate
CID 18352599
benzyl 6-propan-2-yloxane-2-carboxylate
CID 134164699
benzyl 1,6-dimethyl-4-oxopiperidine-3-carboxylate
CID 175064771
methyl (4S,5R)-4-benzyl-2-oxo-3-(phenylmethoxycarbonylamino)-1,3-oxazolidine-5-carboxylate
CID 101166780
benzyl 6-methyl-3,6-diazabicyclo[3.1.0]hexane-3-carboxylate
CID 178029829
benzyl 2-oxooxetane-3-carboxylate
CID 102128365

Frequently Asked Questions

What is the IUPAC name of benzyl (5S)-3-methyl-2-oxo-1,3-oxazolidine-5-carboxylate?
The IUPAC name of benzyl (5S)-3-methyl-2-oxo-1,3-oxazolidine-5-carboxylate (CID 14443169) is benzyl (5S)-3-methyl-2-oxo-1,3-oxazolidine-5-carboxylate.
What is the SMILES notation for benzyl (5S)-3-methyl-2-oxo-1,3-oxazolidine-5-carboxylate?
The canonical SMILES for benzyl (5S)-3-methyl-2-oxo-1,3-oxazolidine-5-carboxylate is CN1C[C@@H](C(=O)OCc2ccccc2)OC1=O.
What is the InChIKey of benzyl (5S)-3-methyl-2-oxo-1,3-oxazolidine-5-carboxylate?
The InChIKey is ZEQCAOVLVRAHFN-JTQLQIEISA-N. The full InChI is InChI=1S/C12H13NO4/c1-13-7-10(17-12(13)15)11(14)16-8-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3/t10-/m0/s1.
What are the key properties of benzyl (5S)-3-methyl-2-oxo-1,3-oxazolidine-5-carboxylate?
benzyl (5S)-3-methyl-2-oxo-1,3-oxazolidine-5-carboxylate has a molecular weight of 235.24 g/mol, XLogP of 1.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (5S)-3-methyl-2-oxo-1,3-oxazolidine-5-carboxylate is sourced from PubChem (CID 14443169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).