(2R)-4-hydroxy-2,4-dimethylpentanoic acid

C7H14O3 — CID 168758888

IUPAC(2R)-4-hydroxy-2,4-dimethylpentanoic acid
SMILESC[C@H](CC(C)(C)O)C(=O)O
InChIInChI=1S/C7H14O3/c1-5(6(8)9)4-7(2,3)10/h5,10H,4H2,1-3H3,(H,8,9)/t5-/m1/s1
InChIKeyRZTDUMZRMWLPGD-RXMQYKEDSA-N
MW146.19 g/mol
LogP0.87
Rot. Bonds3

About (2R)-4-hydroxy-2,4-dimethylpentanoic acid

(2R)-4-hydroxy-2,4-dimethylpentanoic acid (PubChem CID 168758888) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is (2R)-4-hydroxy-2,4-dimethylpentanoic acid.

Molecular Properties

Compound Name(2R)-4-hydroxy-2,4-dimethylpentanoic acid
PubChem CID168758888
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Name(2R)-4-hydroxy-2,4-dimethylpentanoic acid
SMILESC[C@H](CC(C)(C)O)C(=O)O
InChIInChI=1S/C7H14O3/c1-5(6(8)9)4-7(2,3)10/h5,10H,4H2,1-3H3,(H,8,9)/t5-/m1/s1
InChIKeyRZTDUMZRMWLPGD-RXMQYKEDSA-N
XLogP0.87
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-hydroxy-3,5-dimethylhexan-2-one
CID 79428904
(4R)-4-hydroxy-2,4,6-trimethylheptanoic acid
CID 122394912
(2R)-4,4-difluoro-2-methylpentanoic acid
CID 156789470
4-hydroxy-2,4-dimethylpentanamide
CID 89306477
4-amino-2,4-dimethylpentanoic acid
CID 20501045
butane-1,1,1,3-tetracarboxylic acid
CID 91030692
2-amino-2,4-dimethylpentanedioic acid
CID 87224787
4-(hydroxymethyl)-2,4-dimethylhexanoic acid
CID 20734605
(2S)-2,4,4-trimethyl-5-nitrosopentanoic acid
CID 174891106
4-chloro-4,4-difluoro-2-methylbutanoic acid
CID 174293219
7-amino-4,4,5,5,6,6,7,7-octahydroxy-2-methylheptanoic acid
CID 90908022
1-methylpentane-1,3,3-tricarboxylic acid
CID 23423170

Frequently Asked Questions

What is the IUPAC name of (2R)-4-hydroxy-2,4-dimethylpentanoic acid?
The IUPAC name of (2R)-4-hydroxy-2,4-dimethylpentanoic acid (CID 168758888) is (2R)-4-hydroxy-2,4-dimethylpentanoic acid.
What is the SMILES notation for (2R)-4-hydroxy-2,4-dimethylpentanoic acid?
The canonical SMILES for (2R)-4-hydroxy-2,4-dimethylpentanoic acid is C[C@H](CC(C)(C)O)C(=O)O.
What is the InChIKey of (2R)-4-hydroxy-2,4-dimethylpentanoic acid?
The InChIKey is RZTDUMZRMWLPGD-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H14O3/c1-5(6(8)9)4-7(2,3)10/h5,10H,4H2,1-3H3,(H,8,9)/t5-/m1/s1.
What are the key properties of (2R)-4-hydroxy-2,4-dimethylpentanoic acid?
(2R)-4-hydroxy-2,4-dimethylpentanoic acid has a molecular weight of 146.19 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-hydroxy-2,4-dimethylpentanoic acid is sourced from PubChem (CID 168758888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).