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

C14H17NO4 — CID 11288508

IUPACbenzyl (5S)-3-oxo-5-propan-2-yl-1,2-oxazolidine-2-carboxylate
SMILESCC(C)[C@@H]1CC(=O)N(C(=O)OCc2ccccc2)O1
InChIInChI=1S/C14H17NO4/c1-10(2)12-8-13(16)15(19-12)14(17)18-9-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3/t12-/m0/s1
InChIKeyNUHWMQWGGNZWLY-LBPRGKRZSA-N
MW263.29 g/mol
LogP2.51
Rot. Bonds3

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

benzyl (5S)-3-oxo-5-propan-2-yl-1,2-oxazolidine-2-carboxylate (PubChem CID 11288508) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is benzyl (5S)-3-oxo-5-propan-2-yl-1,2-oxazolidine-2-carboxylate.

Molecular Properties

Compound Namebenzyl (5S)-3-oxo-5-propan-2-yl-1,2-oxazolidine-2-carboxylate
PubChem CID11288508
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Namebenzyl (5S)-3-oxo-5-propan-2-yl-1,2-oxazolidine-2-carboxylate
SMILESCC(C)[C@@H]1CC(=O)N(C(=O)OCc2ccccc2)O1
InChIInChI=1S/C14H17NO4/c1-10(2)12-8-13(16)15(19-12)14(17)18-9-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3/t12-/m0/s1
InChIKeyNUHWMQWGGNZWLY-LBPRGKRZSA-N
XLogP2.51
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze benzyl (5S)-3-oxo-5-propan-2-yl-1,2-oxazolidine-2-carboxylate 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

benzyl (5R)-5-(2-methylpropyl)-3-oxo-1,2-oxazolidine-2-carboxylate
CID 11208179
4-oxo-1-phenylmethoxycarbonylazetidine-2-carboxylic acid
CID 71382493
benzyl 2-oxo-4-phenylazetidine-1-carboxylate
CID 11323488
benzyl (4S)-5-hydroxy-4-propan-2-yl-1,3-oxazolidine-3-carboxylate
CID 11737177
benzyl (4S)-2-methyl-4-propan-2-yl-1,3-oxazolidine-3-carboxylate
CID 138980716
benzyl 6-methyl-3,6-diazabicyclo[3.1.0]hexane-3-carboxylate
CID 178029829
benzyl (4R)-4-methyl-2-oxopiperidine-1-carboxylate
CID 22872591
benzyl 3-methyl-5-oxopiperidine-1-carboxylate
CID 163219670
benzyl 6-oxo-3-propan-2-yl-2,3-dihydropyridine-1-carboxylate
CID 138691981
benzyl (3S)-3,4-dimethoxypyrrolidine-1-carboxylate
CID 142802088
benzyl 2,4-dioxopyrrolidine-1-carboxylate
CID 10847223
(2R)-4-oxo-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
CID 34176386

Frequently Asked Questions

What is the IUPAC name of benzyl (5S)-3-oxo-5-propan-2-yl-1,2-oxazolidine-2-carboxylate?
The IUPAC name of benzyl (5S)-3-oxo-5-propan-2-yl-1,2-oxazolidine-2-carboxylate (CID 11288508) is benzyl (5S)-3-oxo-5-propan-2-yl-1,2-oxazolidine-2-carboxylate.
What is the SMILES notation for benzyl (5S)-3-oxo-5-propan-2-yl-1,2-oxazolidine-2-carboxylate?
The canonical SMILES for benzyl (5S)-3-oxo-5-propan-2-yl-1,2-oxazolidine-2-carboxylate is CC(C)[C@@H]1CC(=O)N(C(=O)OCc2ccccc2)O1.
What is the InChIKey of benzyl (5S)-3-oxo-5-propan-2-yl-1,2-oxazolidine-2-carboxylate?
The InChIKey is NUHWMQWGGNZWLY-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H17NO4/c1-10(2)12-8-13(16)15(19-12)14(17)18-9-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3/t12-/m0/s1.
What are the key properties of benzyl (5S)-3-oxo-5-propan-2-yl-1,2-oxazolidine-2-carboxylate?
benzyl (5S)-3-oxo-5-propan-2-yl-1,2-oxazolidine-2-carboxylate has a molecular weight of 263.29 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (5S)-3-oxo-5-propan-2-yl-1,2-oxazolidine-2-carboxylate is sourced from PubChem (CID 11288508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).