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

C7H14O3S — CID 102001507

IUPAC(2R,3R)-3-hydroxy-4-methyl-2-methylsulfanylpentanoic acid
SMILESCS[C@@H](C(=O)O)[C@H](O)C(C)C
InChIInChI=1S/C7H14O3S/c1-4(2)5(8)6(11-3)7(9)10/h4-6,8H,1-3H3,(H,9,10)/t5-,6-/m1/s1
InChIKeyUNXTXWCZHCMDRM-PHDIDXHHSA-N
MW178.25 g/mol
LogP0.82
Rot. Bonds4

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

(2R,3R)-3-hydroxy-4-methyl-2-methylsulfanylpentanoic acid (PubChem CID 102001507) has the molecular formula C7H14O3S and a molecular weight of 178.25 g/mol. Its IUPAC name is (2R,3R)-3-hydroxy-4-methyl-2-methylsulfanylpentanoic acid.

Molecular Properties

Compound Name(2R,3R)-3-hydroxy-4-methyl-2-methylsulfanylpentanoic acid
PubChem CID102001507
Molecular FormulaC7H14O3S
Molecular Weight178.25 g/mol
Exact Mass178.07
IUPAC Name(2R,3R)-3-hydroxy-4-methyl-2-methylsulfanylpentanoic acid
SMILESCS[C@@H](C(=O)O)[C@H](O)C(C)C
InChIInChI=1S/C7H14O3S/c1-4(2)5(8)6(11-3)7(9)10/h4-6,8H,1-3H3,(H,9,10)/t5-,6-/m1/s1
InChIKeyUNXTXWCZHCMDRM-PHDIDXHHSA-N
XLogP0.82
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.25
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3R)-3-hydroxy-4,4-dimethyl-2-methylsulfanylpentanoic acid
CID 102001505
(2S,3R)-2,3-dihydroxy-4-methylpentanoic acid
CID 11137318
(2R,3R)-2-amino-3-methylsulfanylbutanedioic acid
CID 137349148
2-methylpropanoic acid
CID 173073412
(2R,3R)-2-bromo-3-hydroxy-4-methylpentanoic acid
CID 130641963
azane;bis(2-hydroxypropanoic acid);dihydrate
CID 175182487
2-(2-hydroxypropylsulfanyl)-3-methylbutanoic acid
CID 105354037
(2S,3S)-2-hydroxy-3-methylsulfanylbutanedioate
CID 172675806
alumane;2-methylpropanoic acid
CID 173068323
azane;2-methylpropanoic acid;hydrate
CID 161320294
2-hydroxypropanoic acid
CID 87075455
2-methylpropanoic acid;ruthenium
CID 88674751

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-hydroxy-4-methyl-2-methylsulfanylpentanoic acid?
The IUPAC name of (2R,3R)-3-hydroxy-4-methyl-2-methylsulfanylpentanoic acid (CID 102001507) is (2R,3R)-3-hydroxy-4-methyl-2-methylsulfanylpentanoic acid.
What is the SMILES notation for (2R,3R)-3-hydroxy-4-methyl-2-methylsulfanylpentanoic acid?
The canonical SMILES for (2R,3R)-3-hydroxy-4-methyl-2-methylsulfanylpentanoic acid is CS[C@@H](C(=O)O)[C@H](O)C(C)C.
What is the InChIKey of (2R,3R)-3-hydroxy-4-methyl-2-methylsulfanylpentanoic acid?
The InChIKey is UNXTXWCZHCMDRM-PHDIDXHHSA-N. The full InChI is InChI=1S/C7H14O3S/c1-4(2)5(8)6(11-3)7(9)10/h4-6,8H,1-3H3,(H,9,10)/t5-,6-/m1/s1.
What are the key properties of (2R,3R)-3-hydroxy-4-methyl-2-methylsulfanylpentanoic acid?
(2R,3R)-3-hydroxy-4-methyl-2-methylsulfanylpentanoic acid has a molecular weight of 178.25 g/mol, XLogP of 0.82, 4 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-methyl-2-methylsulfanylpentanoic acid is sourced from PubChem (CID 102001507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).