tert-butyl (4S)-4-[(1S,2R)-1,2-dihydroxypropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

C13H25NO5 — CID 58220195

IUPACtert-butyl (4S)-4-[(1S,2R)-1,2-dihydroxypropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESC[C@@H](O)[C@@H](O)[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C13H25NO5/c1-8(15)10(16)9-7-18-13(5,6)14(9)11(17)19-12(2,3)4/h8-10,15-16H,7H2,1-6H3/t8-,9+,10-/m1/s1
InChIKeyWMUNIVFALXDOCP-KXUCPTDWSA-N
MW275.35 g/mol
LogP1.10
Rot. Bonds2

About tert-butyl (4S)-4-[(1S,2R)-1,2-dihydroxypropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

tert-butyl (4S)-4-[(1S,2R)-1,2-dihydroxypropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 58220195) has the molecular formula C13H25NO5 and a molecular weight of 275.35 g/mol. Its IUPAC name is tert-butyl (4S)-4-[(1S,2R)-1,2-dihydroxypropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4S)-4-[(1S,2R)-1,2-dihydroxypropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
PubChem CID58220195
Molecular FormulaC13H25NO5
Molecular Weight275.35 g/mol
Exact Mass275.17
IUPAC Nametert-butyl (4S)-4-[(1S,2R)-1,2-dihydroxypropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESC[C@@H](O)[C@@H](O)[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C13H25NO5/c1-8(15)10(16)9-7-18-13(5,6)14(9)11(17)19-12(2,3)4/h8-10,15-16H,7H2,1-6H3/t8-,9+,10-/m1/s1
InChIKeyWMUNIVFALXDOCP-KXUCPTDWSA-N
XLogP1.10
TPSA79.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (4S)-4-[(1S,2R)-1,2-dihydroxypropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4S)-4-[(1S,2R)-1,2-dihydroxypropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (CID 58220195) is tert-butyl (4S)-4-[(1S,2R)-1,2-dihydroxypropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4S)-4-[(1S,2R)-1,2-dihydroxypropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4S)-4-[(1S,2R)-1,2-dihydroxypropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is C[C@@H](O)[C@@H](O)[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (4S)-4-[(1S,2R)-1,2-dihydroxypropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is WMUNIVFALXDOCP-KXUCPTDWSA-N. The full InChI is InChI=1S/C13H25NO5/c1-8(15)10(16)9-7-18-13(5,6)14(9)11(17)19-12(2,3)4/h8-10,15-16H,7H2,1-6H3/t8-,9+,10-/m1/s1.
What are the key properties of tert-butyl (4S)-4-[(1S,2R)-1,2-dihydroxypropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
tert-butyl (4S)-4-[(1S,2R)-1,2-dihydroxypropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 275.35 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4S)-4-[(1S,2R)-1,2-dihydroxypropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 58220195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).