(2R)-2-methylpentanedioic acid

C6H10O4 — CID 6950149

IUPAC(2R)-2-methylpentanedioic acid
SMILESC[C@H](CCC(=O)O)C(=O)O
InChIInChI=1S/C6H10O4/c1-4(6(9)10)2-3-5(7)8/h4H,2-3H2,1H3,(H,7,8)(H,9,10)/t4-/m1/s1
InChIKeyAQYCMVICBNBXNA-SCSAIBSYSA-N
MW146.14 g/mol
LogP0.57
Rot. Bonds4

About (2R)-2-methylpentanedioic acid

(2R)-2-methylpentanedioic acid (PubChem CID 6950149) has the molecular formula C6H10O4 and a molecular weight of 146.14 g/mol. Its IUPAC name is (2R)-2-methylpentanedioic acid.

Molecular Properties

Compound Name(2R)-2-methylpentanedioic acid
PubChem CID6950149
Molecular FormulaC6H10O4
Molecular Weight146.14 g/mol
Exact Mass146.06
IUPAC Name(2R)-2-methylpentanedioic acid
SMILESC[C@H](CCC(=O)O)C(=O)O
InChIInChI=1S/C6H10O4/c1-4(6(9)10)2-3-5(7)8/h4H,2-3H2,1H3,(H,7,8)(H,9,10)/t4-/m1/s1
InChIKeyAQYCMVICBNBXNA-SCSAIBSYSA-N
XLogP0.57
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.14
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-methylpentanedioic acid?
The IUPAC name of (2R)-2-methylpentanedioic acid (CID 6950149) is (2R)-2-methylpentanedioic acid.
What is the SMILES notation for (2R)-2-methylpentanedioic acid?
The canonical SMILES for (2R)-2-methylpentanedioic acid is C[C@H](CCC(=O)O)C(=O)O.
What is the InChIKey of (2R)-2-methylpentanedioic acid?
The InChIKey is AQYCMVICBNBXNA-SCSAIBSYSA-N. The full InChI is InChI=1S/C6H10O4/c1-4(6(9)10)2-3-5(7)8/h4H,2-3H2,1H3,(H,7,8)(H,9,10)/t4-/m1/s1.
What are the key properties of (2R)-2-methylpentanedioic acid?
(2R)-2-methylpentanedioic acid has a molecular weight of 146.14 g/mol, XLogP of 0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methylpentanedioic acid is sourced from PubChem (CID 6950149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).