methyl 3-[(2R)-thiiran-2-yl]propanoate

C6H10O2S — CID 101021793

IUPACmethyl 3-[(2R)-thiiran-2-yl]propanoate
SMILESCOC(=O)CC[C@@H]1CS1
InChIInChI=1S/C6H10O2S/c1-8-6(7)3-2-5-4-9-5/h5H,2-4H2,1H3/t5-/m1/s1
InChIKeyHRXCSGHQCJOYOQ-RXMQYKEDSA-N
MW146.21 g/mol
LogP1.05
Rot. Bonds3

About methyl 3-[(2R)-thiiran-2-yl]propanoate

methyl 3-[(2R)-thiiran-2-yl]propanoate (PubChem CID 101021793) has the molecular formula C6H10O2S and a molecular weight of 146.21 g/mol. Its IUPAC name is methyl 3-[(2R)-thiiran-2-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[(2R)-thiiran-2-yl]propanoate
PubChem CID101021793
Molecular FormulaC6H10O2S
Molecular Weight146.21 g/mol
Exact Mass146.04
IUPAC Namemethyl 3-[(2R)-thiiran-2-yl]propanoate
SMILESCOC(=O)CC[C@@H]1CS1
InChIInChI=1S/C6H10O2S/c1-8-6(7)3-2-5-4-9-5/h5H,2-4H2,1H3/t5-/m1/s1
InChIKeyHRXCSGHQCJOYOQ-RXMQYKEDSA-N
XLogP1.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.21
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

methyl 3-(4-methylthiolan-2-yl)propanoate
CID 176838344
[(2R,3R,4S)-4-azaniumyl-2-(5-methoxy-5-oxopentyl)thiolan-3-yl]azanium
CID 7065595
methyl 3-(oxan-4-yl)propanoate
CID 55296577
methyl 3-[(1S)-cyclopent-2-en-1-yl]propanoate
CID 125474628
methyl 3-(2-aminocyclopentyl)propanoate
CID 105434759
methyl 3-[(1R,2R)-2-butylcyclopropyl]propanoate
CID 13203150
dimethyl 6,7-dioxododecanedioate
CID 71343651
methyl 2-[(2S,4S)-4-(2-methoxy-2-oxoethyl)thietan-2-yl]acetate
CID 70342297
methyl 3-cyclohex-3-en-1-ylpropanoate
CID 12772855
methyl 3-[[(2S,4S)-2-methyl-1,3-thiazolidine-4-carbonyl]amino]propanoate
CID 124581511
dimethyl tricosanedioate
CID 12632762
bis(dimethyl decanedioate);dimethyl hexanedioate
CID 90703426

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2R)-thiiran-2-yl]propanoate?
The IUPAC name of methyl 3-[(2R)-thiiran-2-yl]propanoate (CID 101021793) is methyl 3-[(2R)-thiiran-2-yl]propanoate.
What is the SMILES notation for methyl 3-[(2R)-thiiran-2-yl]propanoate?
The canonical SMILES for methyl 3-[(2R)-thiiran-2-yl]propanoate is COC(=O)CC[C@@H]1CS1.
What is the InChIKey of methyl 3-[(2R)-thiiran-2-yl]propanoate?
The InChIKey is HRXCSGHQCJOYOQ-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H10O2S/c1-8-6(7)3-2-5-4-9-5/h5H,2-4H2,1H3/t5-/m1/s1.
What are the key properties of methyl 3-[(2R)-thiiran-2-yl]propanoate?
methyl 3-[(2R)-thiiran-2-yl]propanoate has a molecular weight of 146.21 g/mol, XLogP of 1.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2R)-thiiran-2-yl]propanoate is sourced from PubChem (CID 101021793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).