(2R,3R)-2,3-dimethylbutanedioate

C6H8O4-2 — CID 6950213

IUPAC(2R,3R)-2,3-dimethylbutanedioate
SMILESCC(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)/p-2/t3-,4?/m1/s1
InChIKeyKLZYRCVPDWTZLH-SYPWQXSBSA-L
MW144.13 g/mol
LogP-2.24
Rot. Bonds3

About (2R,3R)-2,3-dimethylbutanedioate

(2R,3R)-2,3-dimethylbutanedioate (PubChem CID 6950213) has the molecular formula C6H8O4-2 and a molecular weight of 144.13 g/mol. Its IUPAC name is (2R,3R)-2,3-dimethylbutanedioate.

Molecular Properties

Compound Name(2R,3R)-2,3-dimethylbutanedioate
PubChem CID6950213
Molecular FormulaC6H8O4-2
Molecular Weight144.13 g/mol
Exact Mass144.04
IUPAC Name(2R,3R)-2,3-dimethylbutanedioate
SMILESCC(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)/p-2/t3-,4?/m1/s1
InChIKeyKLZYRCVPDWTZLH-SYPWQXSBSA-L
XLogP-2.24
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.13
LogP ≤ 5-2.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

diazanium;2,3-dimethylbutanedioate
CID 162318469
(2S,3R)-3-hydroxy-2-methylbutanoate
CID 18654775
potassium 3,3-dihydroxy-2-methylpropanoate
CID 175445001
azanium 3,3-dihydroxy-2-methylpropanoate
CID 164518262
3-chloro-2-methylbutanoate
CID 19773769
calcium bis(2-methylpropanoate)
CID 102602609
disilver;2-methylpropanedioate
CID 121393244
barium(2+);bis(2-methylpropanoate)
CID 23219604
tris(2-methylpropanoate);thallium(3+)
CID 173444614
dilithium;2-methylpropanedioate
CID 87066943
dilithium bis(2-methylpropanoate)
CID 86626069
(2R)-2-sulfanylpropanoate
CID 7057984

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2,3-dimethylbutanedioate?
The IUPAC name of (2R,3R)-2,3-dimethylbutanedioate (CID 6950213) is (2R,3R)-2,3-dimethylbutanedioate.
What is the SMILES notation for (2R,3R)-2,3-dimethylbutanedioate?
The canonical SMILES for (2R,3R)-2,3-dimethylbutanedioate is CC(C(=O)[O-])[C@@H](C)C(=O)[O-].
What is the InChIKey of (2R,3R)-2,3-dimethylbutanedioate?
The InChIKey is KLZYRCVPDWTZLH-SYPWQXSBSA-L. 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)/p-2/t3-,4?/m1/s1.
What are the key properties of (2R,3R)-2,3-dimethylbutanedioate?
(2R,3R)-2,3-dimethylbutanedioate has a molecular weight of 144.13 g/mol, XLogP of -2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2,3-dimethylbutanedioate is sourced from PubChem (CID 6950213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).