(2R,3S,4S)-2-hydroxy-3,4-dimethylhexanoic acid

C8H16O3 — CID 89397021

IUPAC(2R,3S,4S)-2-hydroxy-3,4-dimethylhexanoic acid
SMILESCC[C@H](C)[C@H](C)[C@@H](O)C(=O)O
InChIInChI=1S/C8H16O3/c1-4-5(2)6(3)7(9)8(10)11/h5-7,9H,4H2,1-3H3,(H,10,11)/t5-,6-,7+/m0/s1
InChIKeyMFAQNEKFQPASLR-LYFYHCNISA-N
MW160.21 g/mol
LogP1.11
Rot. Bonds4

About (2R,3S,4S)-2-hydroxy-3,4-dimethylhexanoic acid

(2R,3S,4S)-2-hydroxy-3,4-dimethylhexanoic acid (PubChem CID 89397021) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is (2R,3S,4S)-2-hydroxy-3,4-dimethylhexanoic acid.

Molecular Properties

Compound Name(2R,3S,4S)-2-hydroxy-3,4-dimethylhexanoic acid
PubChem CID89397021
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name(2R,3S,4S)-2-hydroxy-3,4-dimethylhexanoic acid
SMILESCC[C@H](C)[C@H](C)[C@@H](O)C(=O)O
InChIInChI=1S/C8H16O3/c1-4-5(2)6(3)7(9)8(10)11/h5-7,9H,4H2,1-3H3,(H,10,11)/t5-,6-,7+/m0/s1
InChIKeyMFAQNEKFQPASLR-LYFYHCNISA-N
XLogP1.11
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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

(2S,3S,4S)-2,4-dihydroxy-3-methylpentanoic acid
CID 155797991
(2S,3S)-2,4-dihydroxy-3-methylpentanoic acid
CID 139665341
(2R,3S)-2,4-dihydroxy-3-methylpentanoic acid
CID 139665346
(2R,3S)-3-methyl-2-sulfanylpentanoic acid
CID 55302342
2-[(2R)-butan-2-yl]propanedioic acid
CID 51381327
2-[(1S,2S)-1-hydroxy-2-methylbutyl]propanedioic acid
CID 87479326
ethane;2-methylbutanoic acid
CID 87621166
iron;2-methylbutanoic acid
CID 175205801
methane;(2S)-2-methylbutanoic acid
CID 159302978
CID 88513173
CID 88513173
bis(2-methylbutanoic acid);nickel
CID 170549792
(2R,4S)-2,4-dihydroxy-3-[(2R)-2-methylbutyl]pentanedioic acid
CID 101365578

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S)-2-hydroxy-3,4-dimethylhexanoic acid?
The IUPAC name of (2R,3S,4S)-2-hydroxy-3,4-dimethylhexanoic acid (CID 89397021) is (2R,3S,4S)-2-hydroxy-3,4-dimethylhexanoic acid.
What is the SMILES notation for (2R,3S,4S)-2-hydroxy-3,4-dimethylhexanoic acid?
The canonical SMILES for (2R,3S,4S)-2-hydroxy-3,4-dimethylhexanoic acid is CC[C@H](C)[C@H](C)[C@@H](O)C(=O)O.
What is the InChIKey of (2R,3S,4S)-2-hydroxy-3,4-dimethylhexanoic acid?
The InChIKey is MFAQNEKFQPASLR-LYFYHCNISA-N. The full InChI is InChI=1S/C8H16O3/c1-4-5(2)6(3)7(9)8(10)11/h5-7,9H,4H2,1-3H3,(H,10,11)/t5-,6-,7+/m0/s1.
What are the key properties of (2R,3S,4S)-2-hydroxy-3,4-dimethylhexanoic acid?
(2R,3S,4S)-2-hydroxy-3,4-dimethylhexanoic acid has a molecular weight of 160.21 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S)-2-hydroxy-3,4-dimethylhexanoic acid is sourced from PubChem (CID 89397021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).