(2R)-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoate

C7H9N2O3S- — CID 9484229

IUPAC(2R)-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoate
SMILESCCc1nnc(S[C@H](C)C(=O)[O-])o1
InChIInChI=1S/C7H10N2O3S/c1-3-5-8-9-7(12-5)13-4(2)6(10)11/h4H,3H2,1-2H3,(H,10,11)/p-1/t4-/m1/s1
InChIKeyACZYJNCJQSTKHQ-SCSAIBSYSA-M
MW201.23 g/mol
LogP-0.14
Rot. Bonds4

About (2R)-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoate

(2R)-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoate (PubChem CID 9484229) has the molecular formula C7H9N2O3S- and a molecular weight of 201.23 g/mol. Its IUPAC name is (2R)-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoate.

Molecular Properties

Compound Name(2R)-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoate
PubChem CID9484229
Molecular FormulaC7H9N2O3S-
Molecular Weight201.23 g/mol
Exact Mass201.03
IUPAC Name(2R)-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoate
SMILESCCc1nnc(S[C@H](C)C(=O)[O-])o1
InChIInChI=1S/C7H10N2O3S/c1-3-5-8-9-7(12-5)13-4(2)6(10)11/h4H,3H2,1-2H3,(H,10,11)/p-1/t4-/m1/s1
InChIKeyACZYJNCJQSTKHQ-SCSAIBSYSA-M
XLogP-0.14
TPSA79.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 5-0.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoate?
The IUPAC name of (2R)-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoate (CID 9484229) is (2R)-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoate.
What is the SMILES notation for (2R)-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoate?
The canonical SMILES for (2R)-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoate is CCc1nnc(S[C@H](C)C(=O)[O-])o1.
What is the InChIKey of (2R)-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoate?
The InChIKey is ACZYJNCJQSTKHQ-SCSAIBSYSA-M. The full InChI is InChI=1S/C7H10N2O3S/c1-3-5-8-9-7(12-5)13-4(2)6(10)11/h4H,3H2,1-2H3,(H,10,11)/p-1/t4-/m1/s1.
What are the key properties of (2R)-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoate?
(2R)-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoate has a molecular weight of 201.23 g/mol, XLogP of -0.14, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoate is sourced from PubChem (CID 9484229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).