2-(3-hydroxythietan-3-yl)propanoic acid

C6H10O3S — CID 130900346

IUPAC2-(3-hydroxythietan-3-yl)propanoic acid
SMILESCC(C(=O)O)C1(O)CSC1
InChIInChI=1S/C6H10O3S/c1-4(5(7)8)6(9)2-10-3-6/h4,9H,2-3H2,1H3,(H,7,8)
InChIKeyVHITWVBVJXRNAX-UHFFFAOYSA-N
MW162.21 g/mol
LogP0.19
Rot. Bonds2

About 2-(3-hydroxythietan-3-yl)propanoic acid

2-(3-hydroxythietan-3-yl)propanoic acid (PubChem CID 130900346) has the molecular formula C6H10O3S and a molecular weight of 162.21 g/mol. Its IUPAC name is 2-(3-hydroxythietan-3-yl)propanoic acid.

Molecular Properties

Compound Name2-(3-hydroxythietan-3-yl)propanoic acid
PubChem CID130900346
Molecular FormulaC6H10O3S
Molecular Weight162.21 g/mol
Exact Mass162.04
IUPAC Name2-(3-hydroxythietan-3-yl)propanoic acid
SMILESCC(C(=O)O)C1(O)CSC1
InChIInChI=1S/C6H10O3S/c1-4(5(7)8)6(9)2-10-3-6/h4,9H,2-3H2,1H3,(H,7,8)
InChIKeyVHITWVBVJXRNAX-UHFFFAOYSA-N
XLogP0.19
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.21
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxythietan-3-yl)propanoic acid?
The IUPAC name of 2-(3-hydroxythietan-3-yl)propanoic acid (CID 130900346) is 2-(3-hydroxythietan-3-yl)propanoic acid.
What is the SMILES notation for 2-(3-hydroxythietan-3-yl)propanoic acid?
The canonical SMILES for 2-(3-hydroxythietan-3-yl)propanoic acid is CC(C(=O)O)C1(O)CSC1.
What is the InChIKey of 2-(3-hydroxythietan-3-yl)propanoic acid?
The InChIKey is VHITWVBVJXRNAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3S/c1-4(5(7)8)6(9)2-10-3-6/h4,9H,2-3H2,1H3,(H,7,8).
What are the key properties of 2-(3-hydroxythietan-3-yl)propanoic acid?
2-(3-hydroxythietan-3-yl)propanoic acid has a molecular weight of 162.21 g/mol, XLogP of 0.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxythietan-3-yl)propanoic acid is sourced from PubChem (CID 130900346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).