2-methylpentanedioic acid;3-methylpentanedioic acid

C12H20O8 — CID 159942344

IUPAC2-methylpentanedioic acid;3-methylpentanedioic acid
SMILESCC(CC(=O)O)CC(=O)O.CC(CCC(=O)O)C(=O)O
InChIInChI=1S/2C6H10O4/c1-4(2-5(7)8)3-6(9)10;1-4(6(9)10)2-3-5(7)8/h2*4H,2-3H2,1H3,(H,7,8)(H,9,10)
InChIKeyOBARRIWZELWESC-UHFFFAOYSA-N
MW292.28 g/mol
LogP1.14
Rot. Bonds8

About 2-methylpentanedioic acid;3-methylpentanedioic acid

2-methylpentanedioic acid;3-methylpentanedioic acid (PubChem CID 159942344) has the molecular formula C12H20O8 and a molecular weight of 292.28 g/mol. Its IUPAC name is 2-methylpentanedioic acid;3-methylpentanedioic acid.

Molecular Properties

Compound Name2-methylpentanedioic acid;3-methylpentanedioic acid
PubChem CID159942344
Molecular FormulaC12H20O8
Molecular Weight292.28 g/mol
Exact Mass292.12
IUPAC Name2-methylpentanedioic acid;3-methylpentanedioic acid
SMILESCC(CC(=O)O)CC(=O)O.CC(CCC(=O)O)C(=O)O
InChIInChI=1S/2C6H10O4/c1-4(2-5(7)8)3-6(9)10;1-4(6(9)10)2-3-5(7)8/h2*4H,2-3H2,1H3,(H,7,8)(H,9,10)
InChIKeyOBARRIWZELWESC-UHFFFAOYSA-N
XLogP1.14
TPSA149.20 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.28
LogP ≤ 51.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

calcium;hydride;2-methylpentanedioic acid
CID 173414295
N,N-dimethylmethanamine;2-methylpentanedioic acid
CID 174605031
3-methylhexanedioic acid;dihydrobromide
CID 172737269
2-ethylbutanedioic acid;2-methylbutanedioic acid;2-methylpentanedioic acid
CID 159000769
2-methylbutanedioic acid;2-methylbut-3-enoic acid;2-methylpentanedioic acid
CID 118196670
(2R,4S)-2,4-dimethylheptanedioic acid
CID 177439281
formic acid;3-methylhexanedioic acid
CID 91009352
strontium;hydride;3-methylpentanedioic acid
CID 173490798
hexane-1,2,5-tricarboxylic acid
CID 14251275
2-methylhenicosanedioic acid
CID 21286141
(4R)-5-amino-4-methyl-5-oxopentanoic acid
CID 170269048
(3R)-3-methyltetradecanedioic acid
CID 142577447

Frequently Asked Questions

What is the IUPAC name of 2-methylpentanedioic acid;3-methylpentanedioic acid?
The IUPAC name of 2-methylpentanedioic acid;3-methylpentanedioic acid (CID 159942344) is 2-methylpentanedioic acid;3-methylpentanedioic acid.
What is the SMILES notation for 2-methylpentanedioic acid;3-methylpentanedioic acid?
The canonical SMILES for 2-methylpentanedioic acid;3-methylpentanedioic acid is CC(CC(=O)O)CC(=O)O.CC(CCC(=O)O)C(=O)O.
What is the InChIKey of 2-methylpentanedioic acid;3-methylpentanedioic acid?
The InChIKey is OBARRIWZELWESC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H10O4/c1-4(2-5(7)8)3-6(9)10;1-4(6(9)10)2-3-5(7)8/h2*4H,2-3H2,1H3,(H,7,8)(H,9,10).
What are the key properties of 2-methylpentanedioic acid;3-methylpentanedioic acid?
2-methylpentanedioic acid;3-methylpentanedioic acid has a molecular weight of 292.28 g/mol, XLogP of 1.14, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpentanedioic acid;3-methylpentanedioic acid is sourced from PubChem (CID 159942344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).