(2R,3R)-3-hydroxy-4,4-dimethyl-2-methylsulfanylpentanoic acid

C8H16O3S — CID 102001505

IUPAC(2R,3R)-3-hydroxy-4,4-dimethyl-2-methylsulfanylpentanoic acid
SMILESCS[C@@H](C(=O)O)[C@H](O)C(C)(C)C
InChIInChI=1S/C8H16O3S/c1-8(2,3)6(9)5(12-4)7(10)11/h5-6,9H,1-4H3,(H,10,11)/t5-,6+/m1/s1
InChIKeyGOMXBYGGYYXFEC-RITPCOANSA-N
MW192.28 g/mol
LogP1.21
Rot. Bonds3

About (2R,3R)-3-hydroxy-4,4-dimethyl-2-methylsulfanylpentanoic acid

(2R,3R)-3-hydroxy-4,4-dimethyl-2-methylsulfanylpentanoic acid (PubChem CID 102001505) has the molecular formula C8H16O3S and a molecular weight of 192.28 g/mol. Its IUPAC name is (2R,3R)-3-hydroxy-4,4-dimethyl-2-methylsulfanylpentanoic acid.

Molecular Properties

Compound Name(2R,3R)-3-hydroxy-4,4-dimethyl-2-methylsulfanylpentanoic acid
PubChem CID102001505
Molecular FormulaC8H16O3S
Molecular Weight192.28 g/mol
Exact Mass192.08
IUPAC Name(2R,3R)-3-hydroxy-4,4-dimethyl-2-methylsulfanylpentanoic acid
SMILESCS[C@@H](C(=O)O)[C@H](O)C(C)(C)C
InChIInChI=1S/C8H16O3S/c1-8(2,3)6(9)5(12-4)7(10)11/h5-6,9H,1-4H3,(H,10,11)/t5-,6+/m1/s1
InChIKeyGOMXBYGGYYXFEC-RITPCOANSA-N
XLogP1.21
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R,3R)-3-hydroxy-4,4-dimethyl-2-methylsulfanylpentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,3R)-3-hydroxy-4-methyl-2-methylsulfanylpentanoic acid
CID 102001507
(2R,3R)-3-hydroxy-2,4,4-trimethylpentanoic acid
CID 10909859
(2R,3R)-2-amino-3-methylsulfanylbutanedioic acid
CID 137349148
2-tert-butylsulfanyl-3-methylbutanoic acid
CID 19381276
azane;bis(2-hydroxypropanoic acid);dihydrate
CID 175182487
(2S,3S)-2-hydroxy-3-methylsulfanylbutanedioate
CID 172675806
5-hydroxy-2,2,4,6,6-pentamethylheptanoic acid;2-methylpropanoic acid
CID 159615695
azane;2-methylpropanoic acid;hydrate
CID 161320294
(2R)-2-(deuterioamino)-3-methyl-3-sulfanylbutanoic acid
CID 20593829
2-(2-amino-2-methylpropyl)sulfanyl-3-methylbutanoic acid
CID 66230141
2,2,6,6-tetramethylheptane-3,4,5-triol
CID 18916262
2-hydroxypropanoic acid;tetrahydrate
CID 141343914

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-hydroxy-4,4-dimethyl-2-methylsulfanylpentanoic acid?
The IUPAC name of (2R,3R)-3-hydroxy-4,4-dimethyl-2-methylsulfanylpentanoic acid (CID 102001505) is (2R,3R)-3-hydroxy-4,4-dimethyl-2-methylsulfanylpentanoic acid.
What is the SMILES notation for (2R,3R)-3-hydroxy-4,4-dimethyl-2-methylsulfanylpentanoic acid?
The canonical SMILES for (2R,3R)-3-hydroxy-4,4-dimethyl-2-methylsulfanylpentanoic acid is CS[C@@H](C(=O)O)[C@H](O)C(C)(C)C.
What is the InChIKey of (2R,3R)-3-hydroxy-4,4-dimethyl-2-methylsulfanylpentanoic acid?
The InChIKey is GOMXBYGGYYXFEC-RITPCOANSA-N. The full InChI is InChI=1S/C8H16O3S/c1-8(2,3)6(9)5(12-4)7(10)11/h5-6,9H,1-4H3,(H,10,11)/t5-,6+/m1/s1.
What are the key properties of (2R,3R)-3-hydroxy-4,4-dimethyl-2-methylsulfanylpentanoic acid?
(2R,3R)-3-hydroxy-4,4-dimethyl-2-methylsulfanylpentanoic acid has a molecular weight of 192.28 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-hydroxy-4,4-dimethyl-2-methylsulfanylpentanoic acid is sourced from PubChem (CID 102001505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).