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

C13H25NO5 — CID 146169718

IUPACtert-butyl (4S)-4-[(2S)-2,3-dihydroxypropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@@H](C[C@H](O)CO)COC1(C)C
InChIInChI=1S/C13H25NO5/c1-12(2,3)19-11(17)14-9(6-10(16)7-15)8-18-13(14,4)5/h9-10,15-16H,6-8H2,1-5H3/t9-,10-/m0/s1
InChIKeyRKAZNQWWXBJBIP-UWVGGRQHSA-N
MW275.34 g/mol
LogP1.10
Rot. Bonds3

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

tert-butyl (4S)-4-[(2S)-2,3-dihydroxypropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 146169718) has the molecular formula C13H25NO5 and a molecular weight of 275.34 g/mol. Its IUPAC name is tert-butyl (4S)-4-[(2S)-2,3-dihydroxypropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4S)-4-[(2S)-2,3-dihydroxypropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
PubChem CID146169718
Molecular FormulaC13H25NO5
Molecular Weight275.34 g/mol
Exact Mass275.17
IUPAC Nametert-butyl (4S)-4-[(2S)-2,3-dihydroxypropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@@H](C[C@H](O)CO)COC1(C)C
InChIInChI=1S/C13H25NO5/c1-12(2,3)19-11(17)14-9(6-10(16)7-15)8-18-13(14,4)5/h9-10,15-16H,6-8H2,1-5H3/t9-,10-/m0/s1
InChIKeyRKAZNQWWXBJBIP-UWVGGRQHSA-N
XLogP1.10
TPSA79.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl (4S)-4-(2-hydroxyethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 10847957
(S)-4-((S)-2-hydroxy-propyl)-2,2-dimethyl-oxazolidine-3-carboxylic acid t-butyl ester
CID 59173108
tert-butyl (2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidine-1-carboxylate
CID 20648577
N-Boc-trans-4-hydroxy-L-prolinol
CID 11275979
tert-Butyl (2S,4S)-4-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 10608802
tert-Butyl (4R)-4-(2-hydroxyethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 10658013
tert-Butyl (2R,4R)-4-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 10680283
tert-butyl (4R)-4-(3-hydroxypropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 11832131
tert-Butyl (2R,4S)-4-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 12709320
Tert-butyl 4-(2-hydroxyethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 21747935
(-)-N-Boc-L-4-hydroxyprolinol
CID 22825185
1,1-Dimethylethyl (2S,4S)-2-(hydroxymethyl)-4-methoxy-1-pyrrolidinecarboxylate
CID 58985023

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4S)-4-[(2S)-2,3-dihydroxypropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4S)-4-[(2S)-2,3-dihydroxypropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (CID 146169718) is tert-butyl (4S)-4-[(2S)-2,3-dihydroxypropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4S)-4-[(2S)-2,3-dihydroxypropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4S)-4-[(2S)-2,3-dihydroxypropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is CC(C)(C)OC(=O)N1[C@@H](C[C@H](O)CO)COC1(C)C.
What is the InChIKey of tert-butyl (4S)-4-[(2S)-2,3-dihydroxypropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is RKAZNQWWXBJBIP-UWVGGRQHSA-N. The full InChI is InChI=1S/C13H25NO5/c1-12(2,3)19-11(17)14-9(6-10(16)7-15)8-18-13(14,4)5/h9-10,15-16H,6-8H2,1-5H3/t9-,10-/m0/s1.
What are the key properties of tert-butyl (4S)-4-[(2S)-2,3-dihydroxypropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
tert-butyl (4S)-4-[(2S)-2,3-dihydroxypropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 275.34 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4S)-4-[(2S)-2,3-dihydroxypropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 146169718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).