tert-butyl (2S,3S)-2,3-dihydroxybutanoate

C8H16O4 — CID 24741378

IUPACtert-butyl (2S,3S)-2,3-dihydroxybutanoate
SMILESC[C@H](O)[C@H](O)C(=O)OC(C)(C)C
InChIInChI=1S/C8H16O4/c1-5(9)6(10)7(11)12-8(2,3)4/h5-6,9-10H,1-4H3/t5-,6-/m0/s1
InChIKeyHSXIKBHXKDBLIZ-WDSKDSINSA-N
MW176.21 g/mol
LogP0.07
Rot. Bonds2

About tert-butyl (2S,3S)-2,3-dihydroxybutanoate

tert-butyl (2S,3S)-2,3-dihydroxybutanoate (PubChem CID 24741378) has the molecular formula C8H16O4 and a molecular weight of 176.21 g/mol. Its IUPAC name is tert-butyl (2S,3S)-2,3-dihydroxybutanoate.

Molecular Properties

Compound Nametert-butyl (2S,3S)-2,3-dihydroxybutanoate
PubChem CID24741378
Molecular FormulaC8H16O4
Molecular Weight176.21 g/mol
Exact Mass176.10
IUPAC Nametert-butyl (2S,3S)-2,3-dihydroxybutanoate
SMILESC[C@H](O)[C@H](O)C(=O)OC(C)(C)C
InChIInChI=1S/C8H16O4/c1-5(9)6(10)7(11)12-8(2,3)4/h5-6,9-10H,1-4H3/t5-,6-/m0/s1
InChIKeyHSXIKBHXKDBLIZ-WDSKDSINSA-N
XLogP0.07
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (2R,3S)-2-amino-3-hydroxybutanoate
CID 6941814
[(2S,3S)-3-hydroxy-4-[(2-methylpropan-2-yl)oxy]-4-oxobutan-2-yl]azanium
CID 7009962
tert-butyl (3S)-2-hydroxy-4-methyl-3-(methylamino)pentanoate
CID 87855920
tert-butyl (2S)-2-aminopropanoate;dihydrochloride
CID 142726161
tert-butyl 2-fluoropropanoate
CID 91554233
tert-butyl (2S)-2-bromopropanoate
CID 12882378
tert-butyl (2S,3R)-3-hydroxy-2-(propan-2-ylamino)butanoate
CID 134164851
tert-butyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxybutanoate
CID 24741474
tert-butyl 3-amino-2-hydroxy-3-(2-methylcyclopropyl)propanoate
CID 21017376
tert-butyl 3,3-diamino-2-methylpropanoate
CID 18761797
tert-butyl (2R,3S)-3-azido-2-hydroxybutanoate
CID 10655692
4-O-tert-butyl 1-O-methyl (3S)-2-hydroxy-3-methylbutanedioate;(3S)-2-hydroxy-3-methyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
CID 158944220

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,3S)-2,3-dihydroxybutanoate?
The IUPAC name of tert-butyl (2S,3S)-2,3-dihydroxybutanoate (CID 24741378) is tert-butyl (2S,3S)-2,3-dihydroxybutanoate.
What is the SMILES notation for tert-butyl (2S,3S)-2,3-dihydroxybutanoate?
The canonical SMILES for tert-butyl (2S,3S)-2,3-dihydroxybutanoate is C[C@H](O)[C@H](O)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2S,3S)-2,3-dihydroxybutanoate?
The InChIKey is HSXIKBHXKDBLIZ-WDSKDSINSA-N. The full InChI is InChI=1S/C8H16O4/c1-5(9)6(10)7(11)12-8(2,3)4/h5-6,9-10H,1-4H3/t5-,6-/m0/s1.
What are the key properties of tert-butyl (2S,3S)-2,3-dihydroxybutanoate?
tert-butyl (2S,3S)-2,3-dihydroxybutanoate has a molecular weight of 176.21 g/mol, XLogP of 0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,3S)-2,3-dihydroxybutanoate is sourced from PubChem (CID 24741378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).