tert-butyl (4S)-4-[(1S,2S,3S)-3-hydroxy-1,2-bis(methoxymethoxy)pent-4-ynyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

C19H33NO8 — CID 135012249

IUPACtert-butyl (4S)-4-[(1S,2S,3S)-3-hydroxy-1,2-bis(methoxymethoxy)pent-4-ynyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESC#C[C@H](O)[C@H](OCOC)[C@@H](OCOC)[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C19H33NO8/c1-9-14(21)16(26-12-24-8)15(25-11-23-7)13-10-27-19(5,6)20(13)17(22)28-18(2,3)4/h1,13-16,21H,10-12H2,2-8H3/t13-,14-,15-,16-/m0/s1
InChIKeyFWQWTDBYQNBGPZ-VGWMRTNUSA-N
MW403.47 g/mol
LogP1.33
Rot. Bonds9

About tert-butyl (4S)-4-[(1S,2S,3S)-3-hydroxy-1,2-bis(methoxymethoxy)pent-4-ynyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

tert-butyl (4S)-4-[(1S,2S,3S)-3-hydroxy-1,2-bis(methoxymethoxy)pent-4-ynyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 135012249) has the molecular formula C19H33NO8 and a molecular weight of 403.47 g/mol. Its IUPAC name is tert-butyl (4S)-4-[(1S,2S,3S)-3-hydroxy-1,2-bis(methoxymethoxy)pent-4-ynyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4S)-4-[(1S,2S,3S)-3-hydroxy-1,2-bis(methoxymethoxy)pent-4-ynyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
PubChem CID135012249
Molecular FormulaC19H33NO8
Molecular Weight403.47 g/mol
Exact Mass403.22
IUPAC Nametert-butyl (4S)-4-[(1S,2S,3S)-3-hydroxy-1,2-bis(methoxymethoxy)pent-4-ynyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESC#C[C@H](O)[C@H](OCOC)[C@@H](OCOC)[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C19H33NO8/c1-9-14(21)16(26-12-24-8)15(25-11-23-7)13-10-27-19(5,6)20(13)17(22)28-18(2,3)4/h1,13-16,21H,10-12H2,2-8H3/t13-,14-,15-,16-/m0/s1
InChIKeyFWQWTDBYQNBGPZ-VGWMRTNUSA-N
XLogP1.33
TPSA95.92 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.47
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze tert-butyl (4S)-4-[(1S,2S,3S)-3-hydroxy-1,2-bis(methoxymethoxy)pent-4-ynyl]-2,2-dimethyl-1,3-oxazolidine-3-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

tert-butyl (4S)-4-[(1S,2S)-3-hydroxy-1,2-bis(methoxymethoxy)propyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 25209602
tert-butyl (4S)-4-[(1S,2S,3R)-3-hydroxy-1,2-bis(methoxymethoxy)pent-4-ynyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 25209605
tert-butyl (4R)-2,2-dimethyl-4-[(1R,2S,3S)-1,2,3-trihydroxy-4,4-dimethoxybutyl]-1,3-oxazolidine-3-carboxylate
CID 134931217
tert-butyl (4R)-2,2-dimethyl-4-[(1R,2R,3R)-1,2,3-trihydroxy-4,4-dimethoxybutyl]-1,3-oxazolidine-3-carboxylate
CID 134931218
tert-butyl (4S)-2,2-dimethyl-4-[(1S,2S,3R)-1,2,3-tris(methoxymethoxy)pent-4-ynyl]-1,3-oxazolidine-3-carboxylate
CID 135012250
tert-butyl (4S)-2,2-dimethyl-4-[(1S,2S,3S)-1,2,3-tris(methoxymethoxy)pent-4-ynyl]-1,3-oxazolidine-3-carboxylate
CID 135012251
tert-butyl N-[(2S,3S,4S,5R)-1-hydroxy-3,4,5-tris(methoxymethoxy)hept-6-yn-2-yl]carbamate
CID 135012252
tert-butyl N-[(2S,3S,4S,5S)-1-hydroxy-3,4,5-tris(methoxymethoxy)hept-6-yn-2-yl]carbamate
CID 135012309
tert-butyl (4S)-4-[(1S,2S,3R)-3-hydroxy-1,2-bis(methoxymethoxy)-5-trimethylsilylpent-4-ynyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 25209604
tert-butyl (4S)-4-[(4S,5R)-5-[(1R)-1,2-dihydroxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 56963828

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4S)-4-[(1S,2S,3S)-3-hydroxy-1,2-bis(methoxymethoxy)pent-4-ynyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4S)-4-[(1S,2S,3S)-3-hydroxy-1,2-bis(methoxymethoxy)pent-4-ynyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (CID 135012249) is tert-butyl (4S)-4-[(1S,2S,3S)-3-hydroxy-1,2-bis(methoxymethoxy)pent-4-ynyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4S)-4-[(1S,2S,3S)-3-hydroxy-1,2-bis(methoxymethoxy)pent-4-ynyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4S)-4-[(1S,2S,3S)-3-hydroxy-1,2-bis(methoxymethoxy)pent-4-ynyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is C#C[C@H](O)[C@H](OCOC)[C@@H](OCOC)[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (4S)-4-[(1S,2S,3S)-3-hydroxy-1,2-bis(methoxymethoxy)pent-4-ynyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is FWQWTDBYQNBGPZ-VGWMRTNUSA-N. The full InChI is InChI=1S/C19H33NO8/c1-9-14(21)16(26-12-24-8)15(25-11-23-7)13-10-27-19(5,6)20(13)17(22)28-18(2,3)4/h1,13-16,21H,10-12H2,2-8H3/t13-,14-,15-,16-/m0/s1.
What are the key properties of tert-butyl (4S)-4-[(1S,2S,3S)-3-hydroxy-1,2-bis(methoxymethoxy)pent-4-ynyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
tert-butyl (4S)-4-[(1S,2S,3S)-3-hydroxy-1,2-bis(methoxymethoxy)pent-4-ynyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 403.47 g/mol, XLogP of 1.33, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4S)-4-[(1S,2S,3S)-3-hydroxy-1,2-bis(methoxymethoxy)pent-4-ynyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 135012249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).