tert-butyl (4S)-4-(3-ethoxy-1,2-dihydroxy-3-oxopropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

C15H27NO7 — CID 101259109

IUPACtert-butyl (4S)-4-(3-ethoxy-1,2-dihydroxy-3-oxopropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCCOC(=O)C(O)C(O)[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C15H27NO7/c1-7-21-12(19)11(18)10(17)9-8-22-15(5,6)16(9)13(20)23-14(2,3)4/h9-11,17-18H,7-8H2,1-6H3/t9-,10?,11?/m0/s1
InChIKeyJGQAKSPJDFZEKR-WHXUTIOJSA-N
MW333.38 g/mol
LogP0.64
Rot. Bonds4

About tert-butyl (4S)-4-(3-ethoxy-1,2-dihydroxy-3-oxopropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

tert-butyl (4S)-4-(3-ethoxy-1,2-dihydroxy-3-oxopropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 101259109) has the molecular formula C15H27NO7 and a molecular weight of 333.38 g/mol. Its IUPAC name is tert-butyl (4S)-4-(3-ethoxy-1,2-dihydroxy-3-oxopropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4S)-4-(3-ethoxy-1,2-dihydroxy-3-oxopropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
PubChem CID101259109
Molecular FormulaC15H27NO7
Molecular Weight333.38 g/mol
Exact Mass333.18
IUPAC Nametert-butyl (4S)-4-(3-ethoxy-1,2-dihydroxy-3-oxopropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCCOC(=O)C(O)C(O)[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C15H27NO7/c1-7-21-12(19)11(18)10(17)9-8-22-15(5,6)16(9)13(20)23-14(2,3)4/h9-11,17-18H,7-8H2,1-6H3/t9-,10?,11?/m0/s1
InChIKeyJGQAKSPJDFZEKR-WHXUTIOJSA-N
XLogP0.64
TPSA105.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

tert-butyl (4R)-4-[(1R,2R)-3-ethoxy-2-fluoro-1-hydroxy-2-methyl-3-oxopropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 90176449
tert-butyl (4R)-4-[(2R,3S)-3-hydroxy-4-methoxy-4-oxobutan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 11109911
tert-butyl (4S)-4-[(1S,2S)-1,2-dihydroxy-3-methoxy-3-oxopropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 14999469
tert-butyl (4S)-4-[(1S,2R)-1,2-dihydroxy-3-methoxy-3-oxopropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 25209428
tert-butyl (2S,3S,4S)-3,4-dihydroxy-2-(methoxymethyl)-5-oxopyrrolidine-1-carboxylate
CID 49788166
tert-butyl (4S)-4-[(1S,2R)-3-ethoxy-1,2-dihydroxy-3-oxopropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 49793323
tert-butyl (4S)-4-[(1R,2R)-1,2-dihydroxy-3-methoxy-3-oxopropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 134833624
tert-butyl (4S)-4-[(1S,2R)-3-ethoxy-2-hydroxy-3-oxo-1-propan-2-yloxypropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 134833842
tert-butyl (4S)-4-[(1R,2R)-3-ethoxy-1,2-dihydroxy-3-oxopropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 134840959
Tert-butyl (S)-4-((1S,2R)-1-((tert-butoxycarbonyl)oxy)-3-ethoxy-2-hydroxy-3-oxopropyl)-2,2-dimethyloxazolidine-3-carboxylate
CID 134850910
methyl (2S,3S,4S)-2,3-dihydroxy-5-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 134857982
methyl (2R,3R,4S)-2,3-dihydroxy-5-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 134858008

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4S)-4-(3-ethoxy-1,2-dihydroxy-3-oxopropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4S)-4-(3-ethoxy-1,2-dihydroxy-3-oxopropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (CID 101259109) is tert-butyl (4S)-4-(3-ethoxy-1,2-dihydroxy-3-oxopropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4S)-4-(3-ethoxy-1,2-dihydroxy-3-oxopropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4S)-4-(3-ethoxy-1,2-dihydroxy-3-oxopropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is CCOC(=O)C(O)C(O)[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (4S)-4-(3-ethoxy-1,2-dihydroxy-3-oxopropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is JGQAKSPJDFZEKR-WHXUTIOJSA-N. The full InChI is InChI=1S/C15H27NO7/c1-7-21-12(19)11(18)10(17)9-8-22-15(5,6)16(9)13(20)23-14(2,3)4/h9-11,17-18H,7-8H2,1-6H3/t9-,10?,11?/m0/s1.
What are the key properties of tert-butyl (4S)-4-(3-ethoxy-1,2-dihydroxy-3-oxopropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
tert-butyl (4S)-4-(3-ethoxy-1,2-dihydroxy-3-oxopropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 333.38 g/mol, XLogP of 0.64, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4S)-4-(3-ethoxy-1,2-dihydroxy-3-oxopropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 101259109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).