(2R,3R)-3-hydroxy-2,4,4-trimethylpentanoic acid

C8H16O3 — CID 10909859

IUPAC(2R,3R)-3-hydroxy-2,4,4-trimethylpentanoic acid
SMILESC[C@@H](C(=O)O)[C@@H](O)C(C)(C)C
InChIInChI=1S/C8H16O3/c1-5(7(10)11)6(9)8(2,3)4/h5-6,9H,1-4H3,(H,10,11)/t5-,6-/m1/s1
InChIKeySRACGGODXOHIBL-PHDIDXHHSA-N
MW160.21 g/mol
LogP1.11
Rot. Bonds2

About (2R,3R)-3-hydroxy-2,4,4-trimethylpentanoic acid

(2R,3R)-3-hydroxy-2,4,4-trimethylpentanoic acid (PubChem CID 10909859) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is (2R,3R)-3-hydroxy-2,4,4-trimethylpentanoic acid.

Molecular Properties

Compound Name(2R,3R)-3-hydroxy-2,4,4-trimethylpentanoic acid
PubChem CID10909859
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name(2R,3R)-3-hydroxy-2,4,4-trimethylpentanoic acid
SMILESC[C@@H](C(=O)O)[C@@H](O)C(C)(C)C
InChIInChI=1S/C8H16O3/c1-5(7(10)11)6(9)8(2,3)4/h5-6,9H,1-4H3,(H,10,11)/t5-,6-/m1/s1
InChIKeySRACGGODXOHIBL-PHDIDXHHSA-N
XLogP1.11
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-hydroxy-2,4,4-trimethyl-1-phenylpentan-1-one
CID 13023589
(2R,3R)-3-hydroxy-4,4-dimethyl-2-methylsulfanylpentanoic acid
CID 102001505
(4S)-4-hydroxy-2,3-dimethylpentanoic acid
CID 146599798
5-hydroxy-2,2,4,6,6-pentamethylheptanoic acid;2-methylpropanoic acid
CID 159615695
2-hydroxypropanoic acid
CID 87075455
(E)-3-hydroxy-2,6,6-trimethylhept-4-enoic acid
CID 5370355
(4S,5S)-5-hydroxy-2,2,6,6-tetramethyl-4-propan-2-ylheptan-3-one
CID 134905198
(2S)-2-amino-3-hydroxy-2,4-dimethylpentanoic acid
CID 45086732
2,2,5-trimethylhexane-3,4-diol
CID 103456431
2,2,4,6-tetramethylheptan-3-ol
CID 89214446
2,3-dimethyl-4-(2-methyl-3-oxobutan-2-yl)oxy-4-oxobutanoic acid
CID 23550683
3-amino-2,5,5-trimethyl-4-oxohexanoic acid
CID 130346585

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-hydroxy-2,4,4-trimethylpentanoic acid?
The IUPAC name of (2R,3R)-3-hydroxy-2,4,4-trimethylpentanoic acid (CID 10909859) is (2R,3R)-3-hydroxy-2,4,4-trimethylpentanoic acid.
What is the SMILES notation for (2R,3R)-3-hydroxy-2,4,4-trimethylpentanoic acid?
The canonical SMILES for (2R,3R)-3-hydroxy-2,4,4-trimethylpentanoic acid is C[C@@H](C(=O)O)[C@@H](O)C(C)(C)C.
What is the InChIKey of (2R,3R)-3-hydroxy-2,4,4-trimethylpentanoic acid?
The InChIKey is SRACGGODXOHIBL-PHDIDXHHSA-N. The full InChI is InChI=1S/C8H16O3/c1-5(7(10)11)6(9)8(2,3)4/h5-6,9H,1-4H3,(H,10,11)/t5-,6-/m1/s1.
What are the key properties of (2R,3R)-3-hydroxy-2,4,4-trimethylpentanoic acid?
(2R,3R)-3-hydroxy-2,4,4-trimethylpentanoic acid has a molecular weight of 160.21 g/mol, XLogP of 1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-hydroxy-2,4,4-trimethylpentanoic acid is sourced from PubChem (CID 10909859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).