(2R,3S)-2,3-dimethylbutanedioic acid

C6H10O4 — CID 6950212

IUPAC(2R,3S)-2,3-dimethylbutanedioic acid
SMILESC[C@H](C(=O)O)[C@@H](C)C(=O)O
InChIInChI=1S/C6H10O4/c1-3(5(7)8)4(2)6(9)10/h3-4H,1-2H3,(H,7,8)(H,9,10)/t3-,4+
InChIKeyKLZYRCVPDWTZLH-ZXZARUISSA-N
MW146.14 g/mol
LogP0.43
Rot. Bonds3

About (2R,3S)-2,3-dimethylbutanedioic acid

(2R,3S)-2,3-dimethylbutanedioic acid (PubChem CID 6950212) has the molecular formula C6H10O4 and a molecular weight of 146.14 g/mol. Its IUPAC name is (2R,3S)-2,3-dimethylbutanedioic acid.

Molecular Properties

Compound Name(2R,3S)-2,3-dimethylbutanedioic acid
PubChem CID6950212
Molecular FormulaC6H10O4
Molecular Weight146.14 g/mol
Exact Mass146.06
IUPAC Name(2R,3S)-2,3-dimethylbutanedioic acid
SMILESC[C@H](C(=O)O)[C@@H](C)C(=O)O
InChIInChI=1S/C6H10O4/c1-3(5(7)8)4(2)6(9)10/h3-4H,1-2H3,(H,7,8)(H,9,10)/t3-,4+
InChIKeyKLZYRCVPDWTZLH-ZXZARUISSA-N
XLogP0.43
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.14
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2,3-dimethylbutanedioic acid?
The IUPAC name of (2R,3S)-2,3-dimethylbutanedioic acid (CID 6950212) is (2R,3S)-2,3-dimethylbutanedioic acid.
What is the SMILES notation for (2R,3S)-2,3-dimethylbutanedioic acid?
The canonical SMILES for (2R,3S)-2,3-dimethylbutanedioic acid is C[C@H](C(=O)O)[C@@H](C)C(=O)O.
What is the InChIKey of (2R,3S)-2,3-dimethylbutanedioic acid?
The InChIKey is KLZYRCVPDWTZLH-ZXZARUISSA-N. The full InChI is InChI=1S/C6H10O4/c1-3(5(7)8)4(2)6(9)10/h3-4H,1-2H3,(H,7,8)(H,9,10)/t3-,4+.
What are the key properties of (2R,3S)-2,3-dimethylbutanedioic acid?
(2R,3S)-2,3-dimethylbutanedioic acid has a molecular weight of 146.14 g/mol, XLogP of 0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2,3-dimethylbutanedioic acid is sourced from PubChem (CID 6950212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).