tert-butyl (2S,3S)-2-amino-3-hydroxybutanoate

C8H17NO3 — CID 6941811

IUPACtert-butyl (2S,3S)-2-amino-3-hydroxybutanoate
SMILESC[C@H](O)[C@H](N)C(=O)OC(C)(C)C
InChIInChI=1S/C8H17NO3/c1-5(10)6(9)7(11)12-8(2,3)4/h5-6,10H,9H2,1-4H3/t5-,6-/m0/s1
InChIKeyXASPGLPXANLVTJ-WDSKDSINSA-N
MW175.23 g/mol
LogP0.04
Rot. Bonds2

About tert-butyl (2S,3S)-2-amino-3-hydroxybutanoate

tert-butyl (2S,3S)-2-amino-3-hydroxybutanoate (PubChem CID 6941811) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is tert-butyl (2S,3S)-2-amino-3-hydroxybutanoate.

Molecular Properties

Compound Nametert-butyl (2S,3S)-2-amino-3-hydroxybutanoate
PubChem CID6941811
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Nametert-butyl (2S,3S)-2-amino-3-hydroxybutanoate
SMILESC[C@H](O)[C@H](N)C(=O)OC(C)(C)C
InChIInChI=1S/C8H17NO3/c1-5(10)6(9)7(11)12-8(2,3)4/h5-6,10H,9H2,1-4H3/t5-,6-/m0/s1
InChIKeyXASPGLPXANLVTJ-WDSKDSINSA-N
XLogP0.04
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,3S)-2-amino-3-hydroxybutanoate?
The IUPAC name of tert-butyl (2S,3S)-2-amino-3-hydroxybutanoate (CID 6941811) is tert-butyl (2S,3S)-2-amino-3-hydroxybutanoate.
What is the SMILES notation for tert-butyl (2S,3S)-2-amino-3-hydroxybutanoate?
The canonical SMILES for tert-butyl (2S,3S)-2-amino-3-hydroxybutanoate is C[C@H](O)[C@H](N)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2S,3S)-2-amino-3-hydroxybutanoate?
The InChIKey is XASPGLPXANLVTJ-WDSKDSINSA-N. The full InChI is InChI=1S/C8H17NO3/c1-5(10)6(9)7(11)12-8(2,3)4/h5-6,10H,9H2,1-4H3/t5-,6-/m0/s1.
What are the key properties of tert-butyl (2S,3S)-2-amino-3-hydroxybutanoate?
tert-butyl (2S,3S)-2-amino-3-hydroxybutanoate has a molecular weight of 175.23 g/mol, XLogP of 0.04, 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-amino-3-hydroxybutanoate is sourced from PubChem (CID 6941811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).