(2R)-3-[2-(2-methoxyethoxy)ethoxycarbonylsulfanyl]-2-methylpropanoic acid

C10H18O6S — CID 87267507

IUPAC(2R)-3-[2-(2-methoxyethoxy)ethoxycarbonylsulfanyl]-2-methylpropanoic acid
SMILESCOCCOCCOC(=O)SC[C@H](C)C(=O)O
InChIInChI=1S/C10H18O6S/c1-8(9(11)12)7-17-10(13)16-6-5-15-4-3-14-2/h8H,3-7H2,1-2H3,(H,11,12)/t8-/m0/s1
InChIKeyMKKPAENZQSVHAS-QMMMGPOBSA-N
MW266.31 g/mol
LogP1.24
Rot. Bonds9

About (2R)-3-[2-(2-methoxyethoxy)ethoxycarbonylsulfanyl]-2-methylpropanoic acid

(2R)-3-[2-(2-methoxyethoxy)ethoxycarbonylsulfanyl]-2-methylpropanoic acid (PubChem CID 87267507) has the molecular formula C10H18O6S and a molecular weight of 266.31 g/mol. Its IUPAC name is (2R)-3-[2-(2-methoxyethoxy)ethoxycarbonylsulfanyl]-2-methylpropanoic acid.

Molecular Properties

Compound Name(2R)-3-[2-(2-methoxyethoxy)ethoxycarbonylsulfanyl]-2-methylpropanoic acid
PubChem CID87267507
Molecular FormulaC10H18O6S
Molecular Weight266.31 g/mol
Exact Mass266.08
IUPAC Name(2R)-3-[2-(2-methoxyethoxy)ethoxycarbonylsulfanyl]-2-methylpropanoic acid
SMILESCOCCOCCOC(=O)SC[C@H](C)C(=O)O
InChIInChI=1S/C10H18O6S/c1-8(9(11)12)7-17-10(13)16-6-5-15-4-3-14-2/h8H,3-7H2,1-2H3,(H,11,12)/t8-/m0/s1
InChIKeyMKKPAENZQSVHAS-QMMMGPOBSA-N
XLogP1.24
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

(2S)-3-[2-(2-methoxyethoxy)ethoxy]-2-methylpropanoic acid
CID 87267502
2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl hydrogen carbonate
CID 87539702
[(1R)-1-chloroethyl] 2-[2-(2-methoxyethoxy)ethoxy]ethyl carbonate
CID 129387102
azane;4-methoxy-2-methylbutanoic acid
CID 174560200
3-(ethoxymethylsulfanyl)-2-methylpropanoic acid
CID 65364497
2-hydroxypropanoic acid;2-[2-(2-methoxyethoxy)ethoxy]ethanol
CID 86606251
(2R)-2-amino-4-[2-(2-methoxyethoxy)ethoxy]butanoic acid
CID 106702905
3-[3-(2-methoxyethoxy)propanoyl-methylamino]-2-methylpropanoic acid
CID 119228574
2-(2-methoxyethoxy)-3-[2-(2-methoxyethoxy)ethoxy]butanedioic acid
CID 90913494
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylsulfanyl]-2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylsulfanylmethyl]propanoate
CID 140815582
2-methoxycarbonyl-4-(2-methoxyethoxy)butanoic acid
CID 103973267
2-[3-(2-methoxyethoxy)propylsulfanyl]-3-methylbutanoic acid
CID 103408956

Frequently Asked Questions

What is the IUPAC name of (2R)-3-[2-(2-methoxyethoxy)ethoxycarbonylsulfanyl]-2-methylpropanoic acid?
The IUPAC name of (2R)-3-[2-(2-methoxyethoxy)ethoxycarbonylsulfanyl]-2-methylpropanoic acid (CID 87267507) is (2R)-3-[2-(2-methoxyethoxy)ethoxycarbonylsulfanyl]-2-methylpropanoic acid.
What is the SMILES notation for (2R)-3-[2-(2-methoxyethoxy)ethoxycarbonylsulfanyl]-2-methylpropanoic acid?
The canonical SMILES for (2R)-3-[2-(2-methoxyethoxy)ethoxycarbonylsulfanyl]-2-methylpropanoic acid is COCCOCCOC(=O)SC[C@H](C)C(=O)O.
What is the InChIKey of (2R)-3-[2-(2-methoxyethoxy)ethoxycarbonylsulfanyl]-2-methylpropanoic acid?
The InChIKey is MKKPAENZQSVHAS-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H18O6S/c1-8(9(11)12)7-17-10(13)16-6-5-15-4-3-14-2/h8H,3-7H2,1-2H3,(H,11,12)/t8-/m0/s1.
What are the key properties of (2R)-3-[2-(2-methoxyethoxy)ethoxycarbonylsulfanyl]-2-methylpropanoic acid?
(2R)-3-[2-(2-methoxyethoxy)ethoxycarbonylsulfanyl]-2-methylpropanoic acid has a molecular weight of 266.31 g/mol, XLogP of 1.24, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[2-(2-methoxyethoxy)ethoxycarbonylsulfanyl]-2-methylpropanoic acid is sourced from PubChem (CID 87267507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).