tert-butyl (4S)-4-[(1S,2S)-2,3-dihydroxy-1-propan-2-yloxypropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

C16H31NO6 — CID 134833843

IUPACtert-butyl (4S)-4-[(1S,2S)-2,3-dihydroxy-1-propan-2-yloxypropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCC(C)O[C@H]([C@@H](O)CO)[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C16H31NO6/c1-10(2)22-13(12(19)8-18)11-9-21-16(6,7)17(11)14(20)23-15(3,4)5/h10-13,18-19H,8-9H2,1-7H3/t11-,12-,13-/m0/s1
InChIKeyTZGYJTVZLVNGBW-AVGNSLFASA-N
MW333.43 g/mol
LogP1.51
Rot. Bonds5

About tert-butyl (4S)-4-[(1S,2S)-2,3-dihydroxy-1-propan-2-yloxypropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

tert-butyl (4S)-4-[(1S,2S)-2,3-dihydroxy-1-propan-2-yloxypropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 134833843) has the molecular formula C16H31NO6 and a molecular weight of 333.43 g/mol. Its IUPAC name is tert-butyl (4S)-4-[(1S,2S)-2,3-dihydroxy-1-propan-2-yloxypropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4S)-4-[(1S,2S)-2,3-dihydroxy-1-propan-2-yloxypropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
PubChem CID134833843
Molecular FormulaC16H31NO6
Molecular Weight333.43 g/mol
Exact Mass333.22
IUPAC Nametert-butyl (4S)-4-[(1S,2S)-2,3-dihydroxy-1-propan-2-yloxypropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCC(C)O[C@H]([C@@H](O)CO)[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C16H31NO6/c1-10(2)22-13(12(19)8-18)11-9-21-16(6,7)17(11)14(20)23-15(3,4)5/h10-13,18-19H,8-9H2,1-7H3/t11-,12-,13-/m0/s1
InChIKeyTZGYJTVZLVNGBW-AVGNSLFASA-N
XLogP1.51
TPSA88.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl (4S)-4-[(1S,2S)-2,3-dihydroxy-1-propan-2-yloxypropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

(S)-4-((S)-2-hydroxy-propyl)-2,2-dimethyl-oxazolidine-3-carboxylic acid t-butyl ester
CID 59173108
tert-butyl (4R)-4-(3-hydroxypropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 11832131
Tert-butyl (4S)-4-(3-hydroxypropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 10879805
tert-butyl 2-[[[(3R,4S)-4-hydroxyoxolan-3-yl]-methylamino]methyl]-4-methoxypyrrolidine-1-carboxylate
CID 126828270
Tert-butyl 4-(2-fluoro-3-hydroxypropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 176199937
tert-butyl (4R)-4-[(2S)-2-fluoro-3-hydroxypropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 176223820
tert-butyl (4S)-4-[(2S)-2-fluoro-3-hydroxypropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 176223827
tert-butyl (4R)-4-(2-fluoro-3-hydroxypropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 176223841
tert-butyl (4R)-4-[(2R)-2-fluoro-3-hydroxypropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 176223876
tert-butyl (4S)-4-[(2R)-2-fluoro-3-hydroxypropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 176223903
tert-butyl (4R,5S)-5-(1,2-dihydroxyethyl)-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate
CID 11471354
tert-butyl (4S)-4-[(1S,2S)-3-hydroxy-1,2-bis(methoxymethoxy)propyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 25209602

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4S)-4-[(1S,2S)-2,3-dihydroxy-1-propan-2-yloxypropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4S)-4-[(1S,2S)-2,3-dihydroxy-1-propan-2-yloxypropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (CID 134833843) is tert-butyl (4S)-4-[(1S,2S)-2,3-dihydroxy-1-propan-2-yloxypropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4S)-4-[(1S,2S)-2,3-dihydroxy-1-propan-2-yloxypropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4S)-4-[(1S,2S)-2,3-dihydroxy-1-propan-2-yloxypropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is CC(C)O[C@H]([C@@H](O)CO)[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (4S)-4-[(1S,2S)-2,3-dihydroxy-1-propan-2-yloxypropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is TZGYJTVZLVNGBW-AVGNSLFASA-N. The full InChI is InChI=1S/C16H31NO6/c1-10(2)22-13(12(19)8-18)11-9-21-16(6,7)17(11)14(20)23-15(3,4)5/h10-13,18-19H,8-9H2,1-7H3/t11-,12-,13-/m0/s1.
What are the key properties of tert-butyl (4S)-4-[(1S,2S)-2,3-dihydroxy-1-propan-2-yloxypropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
tert-butyl (4S)-4-[(1S,2S)-2,3-dihydroxy-1-propan-2-yloxypropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 333.43 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4S)-4-[(1S,2S)-2,3-dihydroxy-1-propan-2-yloxypropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 134833843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).