tert-butyl (2R)-2-hydroxypropanoate

C7H14O3 — CID 10953655

IUPACtert-butyl (2R)-2-hydroxypropanoate
SMILESC[C@@H](O)C(=O)OC(C)(C)C
InChIInChI=1S/C7H14O3/c1-5(8)6(9)10-7(2,3)4/h5,8H,1-4H3/t5-/m1/s1
InChIKeyIXXMVXXFAJGOQO-RXMQYKEDSA-N
MW146.19 g/mol
LogP0.71
Rot. Bonds1

About tert-butyl (2R)-2-hydroxypropanoate

tert-butyl (2R)-2-hydroxypropanoate (PubChem CID 10953655) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is tert-butyl (2R)-2-hydroxypropanoate.

Molecular Properties

Compound Nametert-butyl (2R)-2-hydroxypropanoate
PubChem CID10953655
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Nametert-butyl (2R)-2-hydroxypropanoate
SMILESC[C@@H](O)C(=O)OC(C)(C)C
InChIInChI=1S/C7H14O3/c1-5(8)6(9)10-7(2,3)4/h5,8H,1-4H3/t5-/m1/s1
InChIKeyIXXMVXXFAJGOQO-RXMQYKEDSA-N
XLogP0.71
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-hydroxypropanoate?
The IUPAC name of tert-butyl (2R)-2-hydroxypropanoate (CID 10953655) is tert-butyl (2R)-2-hydroxypropanoate.
What is the SMILES notation for tert-butyl (2R)-2-hydroxypropanoate?
The canonical SMILES for tert-butyl (2R)-2-hydroxypropanoate is C[C@@H](O)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R)-2-hydroxypropanoate?
The InChIKey is IXXMVXXFAJGOQO-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H14O3/c1-5(8)6(9)10-7(2,3)4/h5,8H,1-4H3/t5-/m1/s1.
What are the key properties of tert-butyl (2R)-2-hydroxypropanoate?
tert-butyl (2R)-2-hydroxypropanoate has a molecular weight of 146.19 g/mol, XLogP of 0.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-hydroxypropanoate is sourced from PubChem (CID 10953655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).