(2R)-2-ethylsulfanylpentanoic acid

C7H14O2S — CID 1201456

IUPAC(2R)-2-ethylsulfanylpentanoic acid
SMILESCCC[C@@H](SCC)C(=O)O
InChIInChI=1S/C7H14O2S/c1-3-5-6(7(8)9)10-4-2/h6H,3-5H2,1-2H3,(H,8,9)/t6-/m1/s1
InChIKeyRDYBEARREWTIND-ZCFIWIBFSA-N
MW162.25 g/mol
LogP1.99
Rot. Bonds5

About (2R)-2-ethylsulfanylpentanoic acid

(2R)-2-ethylsulfanylpentanoic acid (PubChem CID 1201456) has the molecular formula C7H14O2S and a molecular weight of 162.25 g/mol. Its IUPAC name is (2R)-2-ethylsulfanylpentanoic acid.

Molecular Properties

Compound Name(2R)-2-ethylsulfanylpentanoic acid
PubChem CID1201456
Molecular FormulaC7H14O2S
Molecular Weight162.25 g/mol
Exact Mass162.07
IUPAC Name(2R)-2-ethylsulfanylpentanoic acid
SMILESCCC[C@@H](SCC)C(=O)O
InChIInChI=1S/C7H14O2S/c1-3-5-6(7(8)9)10-4-2/h6H,3-5H2,1-2H3,(H,8,9)/t6-/m1/s1
InChIKeyRDYBEARREWTIND-ZCFIWIBFSA-N
XLogP1.99
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.25
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethylsulfanylhexanedioic acid
CID 102267605
sodium 2-ethylsulfanylpentanoate
CID 24840937
2-ethylsulfanylcarbonylsulfanylpentanoic acid
CID 175830913
2-[2-(diethylamino)ethylsulfanyl]pentanoic acid
CID 83038190
2-(7,7-difluoroheptylsulfanyl)pentanoic acid
CID 87341983
2-(2-amino-3-methoxy-3-oxopropyl)sulfanylpentanoic acid
CID 83040640
2-tridecanoylsulfanylpentanoic acid
CID 175528257
2-(4,4-difluoropentylsulfanyl)pentanoic acid
CID 87341853
2-(2-carboxy-2-formamidoethyl)sulfanylpentanoic acid
CID 83042092
4-amino-2-propylsulfanylbutanoic acid
CID 64695267
2-(disulfanyl)undecanoic acid
CID 141134251
2-dodecylsulfanylhexanoic acid
CID 89266983

Frequently Asked Questions

What is the IUPAC name of (2R)-2-ethylsulfanylpentanoic acid?
The IUPAC name of (2R)-2-ethylsulfanylpentanoic acid (CID 1201456) is (2R)-2-ethylsulfanylpentanoic acid.
What is the SMILES notation for (2R)-2-ethylsulfanylpentanoic acid?
The canonical SMILES for (2R)-2-ethylsulfanylpentanoic acid is CCC[C@@H](SCC)C(=O)O.
What is the InChIKey of (2R)-2-ethylsulfanylpentanoic acid?
The InChIKey is RDYBEARREWTIND-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H14O2S/c1-3-5-6(7(8)9)10-4-2/h6H,3-5H2,1-2H3,(H,8,9)/t6-/m1/s1.
What are the key properties of (2R)-2-ethylsulfanylpentanoic acid?
(2R)-2-ethylsulfanylpentanoic acid has a molecular weight of 162.25 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-ethylsulfanylpentanoic acid is sourced from PubChem (CID 1201456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).