tert-butyl (4S)-4-[(R)-hydroxy-[(4R)-5-methylidene-2-oxo-1,3-dioxolan-4-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

C15H23NO7 — CID 139037430

IUPACtert-butyl (4S)-4-[(R)-hydroxy-[(4R)-5-methylidene-2-oxo-1,3-dioxolan-4-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESC=C1OC(=O)O[C@@H]1[C@H](O)[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C15H23NO7/c1-8-11(22-13(19)21-8)10(17)9-7-20-15(5,6)16(9)12(18)23-14(2,3)4/h9-11,17H,1,7H2,2-6H3/t9-,10+,11-/m0/s1
InChIKeyRLVIBXANRXUIMA-AXFHLTTASA-N
MW329.35 g/mol
LogP1.77
Rot. Bonds2

About tert-butyl (4S)-4-[(R)-hydroxy-[(4R)-5-methylidene-2-oxo-1,3-dioxolan-4-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

tert-butyl (4S)-4-[(R)-hydroxy-[(4R)-5-methylidene-2-oxo-1,3-dioxolan-4-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 139037430) has the molecular formula C15H23NO7 and a molecular weight of 329.35 g/mol. Its IUPAC name is tert-butyl (4S)-4-[(R)-hydroxy-[(4R)-5-methylidene-2-oxo-1,3-dioxolan-4-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4S)-4-[(R)-hydroxy-[(4R)-5-methylidene-2-oxo-1,3-dioxolan-4-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
PubChem CID139037430
Molecular FormulaC15H23NO7
Molecular Weight329.35 g/mol
Exact Mass329.15
IUPAC Nametert-butyl (4S)-4-[(R)-hydroxy-[(4R)-5-methylidene-2-oxo-1,3-dioxolan-4-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESC=C1OC(=O)O[C@@H]1[C@H](O)[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C15H23NO7/c1-8-11(22-13(19)21-8)10(17)9-7-20-15(5,6)16(9)12(18)23-14(2,3)4/h9-11,17H,1,7H2,2-6H3/t9-,10+,11-/m0/s1
InChIKeyRLVIBXANRXUIMA-AXFHLTTASA-N
XLogP1.77
TPSA94.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (4S)-4-[(R)-hydroxy-[(4R)-5-methylidene-2-oxo-1,3-dioxolan-4-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4S)-4-[(R)-hydroxy-[(4R)-5-methylidene-2-oxo-1,3-dioxolan-4-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (CID 139037430) is tert-butyl (4S)-4-[(R)-hydroxy-[(4R)-5-methylidene-2-oxo-1,3-dioxolan-4-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4S)-4-[(R)-hydroxy-[(4R)-5-methylidene-2-oxo-1,3-dioxolan-4-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4S)-4-[(R)-hydroxy-[(4R)-5-methylidene-2-oxo-1,3-dioxolan-4-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is C=C1OC(=O)O[C@@H]1[C@H](O)[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (4S)-4-[(R)-hydroxy-[(4R)-5-methylidene-2-oxo-1,3-dioxolan-4-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is RLVIBXANRXUIMA-AXFHLTTASA-N. The full InChI is InChI=1S/C15H23NO7/c1-8-11(22-13(19)21-8)10(17)9-7-20-15(5,6)16(9)12(18)23-14(2,3)4/h9-11,17H,1,7H2,2-6H3/t9-,10+,11-/m0/s1.
What are the key properties of tert-butyl (4S)-4-[(R)-hydroxy-[(4R)-5-methylidene-2-oxo-1,3-dioxolan-4-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
tert-butyl (4S)-4-[(R)-hydroxy-[(4R)-5-methylidene-2-oxo-1,3-dioxolan-4-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 329.35 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4S)-4-[(R)-hydroxy-[(4R)-5-methylidene-2-oxo-1,3-dioxolan-4-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 139037430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).