[(4S)-4-ethyl-4-methyl-2-oxooxolan-3-yl] N-[(2S)-1-oxo-1-[2-[(1R)-1-phenylethyl]oxaziridin-3-yl]hexan-2-yl]carbamate

C23H32N2O6 — CID 91331127

IUPAC[(4S)-4-ethyl-4-methyl-2-oxooxolan-3-yl] N-[(2S)-1-oxo-1-[2-[(1R)-1-phenylethyl]oxaziridin-3-yl]hexan-2-yl]carbamate
SMILESCCCC[C@H](NC(=O)OC1C(=O)OC[C@]1(C)CC)C(=O)C1ON1[C@H](C)c1ccccc1
InChIInChI=1S/C23H32N2O6/c1-5-7-13-17(24-22(28)30-19-21(27)29-14-23(19,4)6-2)18(26)20-25(31-20)15(3)16-11-9-8-10-12-16/h8-12,15,17,19-20H,5-7,13-14H2,1-4H3,(H,24,28)/t15-,17+,19?,20?,23+,25?/m1/s1
InChIKeyHNPQCRVOTQVUHV-HYAQPGDWSA-N
MW432.52 g/mol
LogP3.52
Rot. Bonds10

About [(4S)-4-ethyl-4-methyl-2-oxooxolan-3-yl] N-[(2S)-1-oxo-1-[2-[(1R)-1-phenylethyl]oxaziridin-3-yl]hexan-2-yl]carbamate

[(4S)-4-ethyl-4-methyl-2-oxooxolan-3-yl] N-[(2S)-1-oxo-1-[2-[(1R)-1-phenylethyl]oxaziridin-3-yl]hexan-2-yl]carbamate (PubChem CID 91331127) has the molecular formula C23H32N2O6 and a molecular weight of 432.52 g/mol. Its IUPAC name is [(4S)-4-ethyl-4-methyl-2-oxooxolan-3-yl] N-[(2S)-1-oxo-1-[2-[(1R)-1-phenylethyl]oxaziridin-3-yl]hexan-2-yl]carbamate.

Molecular Properties

Compound Name[(4S)-4-ethyl-4-methyl-2-oxooxolan-3-yl] N-[(2S)-1-oxo-1-[2-[(1R)-1-phenylethyl]oxaziridin-3-yl]hexan-2-yl]carbamate
PubChem CID91331127
Molecular FormulaC23H32N2O6
Molecular Weight432.52 g/mol
Exact Mass432.23
IUPAC Name[(4S)-4-ethyl-4-methyl-2-oxooxolan-3-yl] N-[(2S)-1-oxo-1-[2-[(1R)-1-phenylethyl]oxaziridin-3-yl]hexan-2-yl]carbamate
SMILESCCCC[C@H](NC(=O)OC1C(=O)OC[C@]1(C)CC)C(=O)C1ON1[C@H](C)c1ccccc1
InChIInChI=1S/C23H32N2O6/c1-5-7-13-17(24-22(28)30-19-21(27)29-14-23(19,4)6-2)18(26)20-25(31-20)15(3)16-11-9-8-10-12-16/h8-12,15,17,19-20H,5-7,13-14H2,1-4H3,(H,24,28)/t15-,17+,19?,20?,23+,25?/m1/s1
InChIKeyHNPQCRVOTQVUHV-HYAQPGDWSA-N
XLogP3.52
TPSA97.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze [(4S)-4-ethyl-4-methyl-2-oxooxolan-3-yl] N-[(2S)-1-oxo-1-[2-[(1R)-1-phenylethyl]oxaziridin-3-yl]hexan-2-yl]carbamate 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

(1-acetyl-4,4-dimethylpyrrolidin-2-yl) N-[(2S)-1-oxo-1-[2-[(1R)-1-phenylethyl]oxaziridin-3-yl]hexan-2-yl]carbamate
CID 91155696
oxolan-2-ylmethyl (4S)-3,3-dimethyl-4-[[1-oxo-1-[2-[(1R)-1-phenylethyl]oxaziridin-3-yl]hexan-2-yl]carbamoyloxy]pyrrolidine-1-carboxylate
CID 91260744
[1-(pyrimidin-2-yloxymethyl)cyclobutyl]methyl N-[(2S)-1-oxo-1-[2-[(1R)-1-phenylethyl]oxaziridin-3-yl]hexan-2-yl]carbamate
CID 91416348
[1-[(6-methyl-4-phenylpyridazin-3-yl)oxymethyl]cyclobutyl]methyl N-[(2R)-1-oxo-1-[2-[(1R)-1-phenylethyl]oxaziridin-3-yl]hexan-2-yl]carbamate
CID 91089407
[1-[3-(2-chloropyrimidin-4-yl)oxypropyl]cyclobutyl]methyl N-[(2S)-1-oxo-1-[2-[(1R)-1-phenylethyl]oxaziridin-3-yl]hexan-2-yl]carbamate
CID 91150285
(1-benzyl-4,4-dimethyl-2-oxopyrrolidin-3-yl) N-[(3S)-1,2-dioxo-1-[[(1R)-1-phenylethyl]amino]heptan-3-yl]carbamate
CID 10029243
[(3S)-1-benzoyl-4,4-dimethylpyrrolidin-3-yl] N-[(3S)-1,2-dioxo-1-[[(1R)-1-phenylethyl]amino]heptan-3-yl]carbamate
CID 46881268
[(3R)-4,4-dimethyl-1-(4-phenylbenzoyl)pyrrolidin-3-yl] N-[(3S)-1,2-dioxo-1-[[(1R)-1-phenylethyl]amino]heptan-3-yl]carbamate
CID 10031210
(3R)-2-butyl-3-methyl-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylic acid
CID 68861605
(4S)-4-[[(3S)-1,2-dioxo-1-[[(1R)-1-phenylethyl]amino]heptan-3-yl]carbamoyloxy]-3,3-dimethyl-2-(thiophen-3-ylmethyl)pyrrolidine-1-carboxylic acid
CID 69203447
(2S)-2-[(2-methoxy-2-phenylacetyl)amino]hexanoic acid
CID 107144006
oxan-2-ylmethyl (4R)-4-[[(3S)-1,2-dioxo-1-[[(1R)-1-phenylethyl]amino]heptan-3-yl]carbamoyloxy]-3,3-dimethylpyrrolidine-1-carboxylate
CID 10460087

Frequently Asked Questions

What is the IUPAC name of [(4S)-4-ethyl-4-methyl-2-oxooxolan-3-yl] N-[(2S)-1-oxo-1-[2-[(1R)-1-phenylethyl]oxaziridin-3-yl]hexan-2-yl]carbamate?
The IUPAC name of [(4S)-4-ethyl-4-methyl-2-oxooxolan-3-yl] N-[(2S)-1-oxo-1-[2-[(1R)-1-phenylethyl]oxaziridin-3-yl]hexan-2-yl]carbamate (CID 91331127) is [(4S)-4-ethyl-4-methyl-2-oxooxolan-3-yl] N-[(2S)-1-oxo-1-[2-[(1R)-1-phenylethyl]oxaziridin-3-yl]hexan-2-yl]carbamate.
What is the SMILES notation for [(4S)-4-ethyl-4-methyl-2-oxooxolan-3-yl] N-[(2S)-1-oxo-1-[2-[(1R)-1-phenylethyl]oxaziridin-3-yl]hexan-2-yl]carbamate?
The canonical SMILES for [(4S)-4-ethyl-4-methyl-2-oxooxolan-3-yl] N-[(2S)-1-oxo-1-[2-[(1R)-1-phenylethyl]oxaziridin-3-yl]hexan-2-yl]carbamate is CCCC[C@H](NC(=O)OC1C(=O)OC[C@]1(C)CC)C(=O)C1ON1[C@H](C)c1ccccc1.
What is the InChIKey of [(4S)-4-ethyl-4-methyl-2-oxooxolan-3-yl] N-[(2S)-1-oxo-1-[2-[(1R)-1-phenylethyl]oxaziridin-3-yl]hexan-2-yl]carbamate?
The InChIKey is HNPQCRVOTQVUHV-HYAQPGDWSA-N. The full InChI is InChI=1S/C23H32N2O6/c1-5-7-13-17(24-22(28)30-19-21(27)29-14-23(19,4)6-2)18(26)20-25(31-20)15(3)16-11-9-8-10-12-16/h8-12,15,17,19-20H,5-7,13-14H2,1-4H3,(H,24,28)/t15-,17+,19?,20?,23+,25?/m1/s1.
What are the key properties of [(4S)-4-ethyl-4-methyl-2-oxooxolan-3-yl] N-[(2S)-1-oxo-1-[2-[(1R)-1-phenylethyl]oxaziridin-3-yl]hexan-2-yl]carbamate?
[(4S)-4-ethyl-4-methyl-2-oxooxolan-3-yl] N-[(2S)-1-oxo-1-[2-[(1R)-1-phenylethyl]oxaziridin-3-yl]hexan-2-yl]carbamate has a molecular weight of 432.52 g/mol, XLogP of 3.52, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-4-ethyl-4-methyl-2-oxooxolan-3-yl] N-[(2S)-1-oxo-1-[2-[(1R)-1-phenylethyl]oxaziridin-3-yl]hexan-2-yl]carbamate is sourced from PubChem (CID 91331127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).