(2S)-2-hydroxy-2-methylpentanedioic acid

C6H10O5 — CID 87384550

IUPAC(2S)-2-hydroxy-2-methylpentanedioic acid
SMILESC[C@](O)(CCC(=O)O)C(=O)O
InChIInChI=1S/C6H10O5/c1-6(11,5(9)10)3-2-4(7)8/h11H,2-3H2,1H3,(H,7,8)(H,9,10)/t6-/m0/s1
InChIKeyUPFLHEPDBWWJBM-LURJTMIESA-N
MW162.14 g/mol
LogP-0.31
Rot. Bonds4

About (2S)-2-hydroxy-2-methylpentanedioic acid

(2S)-2-hydroxy-2-methylpentanedioic acid (PubChem CID 87384550) has the molecular formula C6H10O5 and a molecular weight of 162.14 g/mol. Its IUPAC name is (2S)-2-hydroxy-2-methylpentanedioic acid.

Molecular Properties

Compound Name(2S)-2-hydroxy-2-methylpentanedioic acid
PubChem CID87384550
Molecular FormulaC6H10O5
Molecular Weight162.14 g/mol
Exact Mass162.05
IUPAC Name(2S)-2-hydroxy-2-methylpentanedioic acid
SMILESC[C@](O)(CCC(=O)O)C(=O)O
InChIInChI=1S/C6H10O5/c1-6(11,5(9)10)3-2-4(7)8/h11H,2-3H2,1H3,(H,7,8)(H,9,10)/t6-/m0/s1
InChIKeyUPFLHEPDBWWJBM-LURJTMIESA-N
XLogP-0.31
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.14
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-methylpropane-1,1,3-tricarboxylic acid
CID 3451460
2-acetyl-2-hydroxypentanedioic acid
CID 88870171
4,5-dihydroxy-4-methylpentanoic acid
CID 55303456
4-hydroxy-4-methyloctanoic acid
CID 18462846
4,4-dihydroxyheptanedioic acid
CID 87892288
4-amino-4-methylpentanoic acid
CID 158438218
14-hydroxy-14-methylpentadecanoic acid
CID 548142
2-hydroxy-2-methylbutanedioic acid;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 87931123
4-tert-butylsulfanyl-4-methylpentanoic acid
CID 155618641
5-hydroxy-5,6,6-trimethylheptanoic acid
CID 139885308
8-(7-carboxy-5,5-dimethylheptyl)sulfanyl-4,4-dimethyloctanoic acid
CID 59984690
8,8,8-trifluoro-4-hydroxy-4-methyloctanoic acid
CID 116536112

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-2-methylpentanedioic acid?
The IUPAC name of (2S)-2-hydroxy-2-methylpentanedioic acid (CID 87384550) is (2S)-2-hydroxy-2-methylpentanedioic acid.
What is the SMILES notation for (2S)-2-hydroxy-2-methylpentanedioic acid?
The canonical SMILES for (2S)-2-hydroxy-2-methylpentanedioic acid is C[C@](O)(CCC(=O)O)C(=O)O.
What is the InChIKey of (2S)-2-hydroxy-2-methylpentanedioic acid?
The InChIKey is UPFLHEPDBWWJBM-LURJTMIESA-N. The full InChI is InChI=1S/C6H10O5/c1-6(11,5(9)10)3-2-4(7)8/h11H,2-3H2,1H3,(H,7,8)(H,9,10)/t6-/m0/s1.
What are the key properties of (2S)-2-hydroxy-2-methylpentanedioic acid?
(2S)-2-hydroxy-2-methylpentanedioic acid has a molecular weight of 162.14 g/mol, XLogP of -0.31, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-2-methylpentanedioic acid is sourced from PubChem (CID 87384550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).