(2R)-2-hydroxy-2-methylbutanedioate

C5H6O5-2 — CID 5460281

IUPAC(2R)-2-hydroxy-2-methylbutanedioate
SMILESC[C@@](O)(CC(=O)[O-])C(=O)[O-]
InChIInChI=1S/C5H8O5/c1-5(10,4(8)9)2-3(6)7/h10H,2H2,1H3,(H,6,7)(H,8,9)/p-2/t5-/m1/s1
InChIKeyXFTRTWQBIOMVPK-RXMQYKEDSA-L
MW146.10 g/mol
LogP-3.37
Rot. Bonds3

About (2R)-2-hydroxy-2-methylbutanedioate

(2R)-2-hydroxy-2-methylbutanedioate (PubChem CID 5460281) has the molecular formula C5H6O5-2 and a molecular weight of 146.10 g/mol. Its IUPAC name is (2R)-2-hydroxy-2-methylbutanedioate.

Molecular Properties

Compound Name(2R)-2-hydroxy-2-methylbutanedioate
PubChem CID5460281
Molecular FormulaC5H6O5-2
Molecular Weight146.10 g/mol
Exact Mass146.02
IUPAC Name(2R)-2-hydroxy-2-methylbutanedioate
SMILESC[C@@](O)(CC(=O)[O-])C(=O)[O-]
InChIInChI=1S/C5H8O5/c1-5(10,4(8)9)2-3(6)7/h10H,2H2,1H3,(H,6,7)(H,8,9)/p-2/t5-/m1/s1
InChIKeyXFTRTWQBIOMVPK-RXMQYKEDSA-L
XLogP-3.37
TPSA100.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.10
LogP ≤ 5-3.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-2-methylbutanedioate?
The IUPAC name of (2R)-2-hydroxy-2-methylbutanedioate (CID 5460281) is (2R)-2-hydroxy-2-methylbutanedioate.
What is the SMILES notation for (2R)-2-hydroxy-2-methylbutanedioate?
The canonical SMILES for (2R)-2-hydroxy-2-methylbutanedioate is C[C@@](O)(CC(=O)[O-])C(=O)[O-].
What is the InChIKey of (2R)-2-hydroxy-2-methylbutanedioate?
The InChIKey is XFTRTWQBIOMVPK-RXMQYKEDSA-L. The full InChI is InChI=1S/C5H8O5/c1-5(10,4(8)9)2-3(6)7/h10H,2H2,1H3,(H,6,7)(H,8,9)/p-2/t5-/m1/s1.
What are the key properties of (2R)-2-hydroxy-2-methylbutanedioate?
(2R)-2-hydroxy-2-methylbutanedioate has a molecular weight of 146.10 g/mol, XLogP of -3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-2-methylbutanedioate is sourced from PubChem (CID 5460281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).