tert-butyl (2R,3R)-4-amino-2,3-dihydroxy-2-methylbutanoate

C9H19NO4 — CID 11542999

IUPACtert-butyl (2R,3R)-4-amino-2,3-dihydroxy-2-methylbutanoate
SMILESCC(C)(C)OC(=O)[C@](C)(O)[C@H](O)CN
InChIInChI=1S/C9H19NO4/c1-8(2,3)14-7(12)9(4,13)6(11)5-10/h6,11,13H,5,10H2,1-4H3/t6-,9-/m1/s1
InChIKeyQYSSJIGMMHZHJP-HZGVNTEJSA-N
MW205.25 g/mol
LogP-0.60
Rot. Bonds3

About tert-butyl (2R,3R)-4-amino-2,3-dihydroxy-2-methylbutanoate

tert-butyl (2R,3R)-4-amino-2,3-dihydroxy-2-methylbutanoate (PubChem CID 11542999) has the molecular formula C9H19NO4 and a molecular weight of 205.25 g/mol. Its IUPAC name is tert-butyl (2R,3R)-4-amino-2,3-dihydroxy-2-methylbutanoate.

Molecular Properties

Compound Nametert-butyl (2R,3R)-4-amino-2,3-dihydroxy-2-methylbutanoate
PubChem CID11542999
Molecular FormulaC9H19NO4
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC Nametert-butyl (2R,3R)-4-amino-2,3-dihydroxy-2-methylbutanoate
SMILESCC(C)(C)OC(=O)[C@](C)(O)[C@H](O)CN
InChIInChI=1S/C9H19NO4/c1-8(2,3)14-7(12)9(4,13)6(11)5-10/h6,11,13H,5,10H2,1-4H3/t6-,9-/m1/s1
InChIKeyQYSSJIGMMHZHJP-HZGVNTEJSA-N
XLogP-0.60
TPSA92.78 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 5-0.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,3R)-4-amino-2,3-dihydroxy-2-methylbutanoate?
The IUPAC name of tert-butyl (2R,3R)-4-amino-2,3-dihydroxy-2-methylbutanoate (CID 11542999) is tert-butyl (2R,3R)-4-amino-2,3-dihydroxy-2-methylbutanoate.
What is the SMILES notation for tert-butyl (2R,3R)-4-amino-2,3-dihydroxy-2-methylbutanoate?
The canonical SMILES for tert-butyl (2R,3R)-4-amino-2,3-dihydroxy-2-methylbutanoate is CC(C)(C)OC(=O)[C@](C)(O)[C@H](O)CN.
What is the InChIKey of tert-butyl (2R,3R)-4-amino-2,3-dihydroxy-2-methylbutanoate?
The InChIKey is QYSSJIGMMHZHJP-HZGVNTEJSA-N. The full InChI is InChI=1S/C9H19NO4/c1-8(2,3)14-7(12)9(4,13)6(11)5-10/h6,11,13H,5,10H2,1-4H3/t6-,9-/m1/s1.
What are the key properties of tert-butyl (2R,3R)-4-amino-2,3-dihydroxy-2-methylbutanoate?
tert-butyl (2R,3R)-4-amino-2,3-dihydroxy-2-methylbutanoate has a molecular weight of 205.25 g/mol, XLogP of -0.60, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,3R)-4-amino-2,3-dihydroxy-2-methylbutanoate is sourced from PubChem (CID 11542999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).