(2S)-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoic acid

C7H10N2O3S — CID 9484226

IUPAC(2S)-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoic acid
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)/t4-/m0/s1
InChIKeyACZYJNCJQSTKHQ-BYPYZUCNSA-N
MW202.23 g/mol
LogP1.20
Rot. Bonds4

About (2S)-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoic acid

(2S)-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoic acid (PubChem CID 9484226) has the molecular formula C7H10N2O3S and a molecular weight of 202.23 g/mol. Its IUPAC name is (2S)-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoic acid
PubChem CID9484226
Molecular FormulaC7H10N2O3S
Molecular Weight202.23 g/mol
Exact Mass202.04
IUPAC Name(2S)-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoic acid
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)/t4-/m0/s1
InChIKeyACZYJNCJQSTKHQ-BYPYZUCNSA-N
XLogP1.20
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.23
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoic acid?
The IUPAC name of (2S)-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoic acid (CID 9484226) is (2S)-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoic acid.
What is the SMILES notation for (2S)-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoic acid?
The canonical SMILES for (2S)-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoic acid is CCc1nnc(S[C@@H](C)C(=O)O)o1.
What is the InChIKey of (2S)-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoic acid?
The InChIKey is ACZYJNCJQSTKHQ-BYPYZUCNSA-N. 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)/t4-/m0/s1.
What are the key properties of (2S)-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoic acid?
(2S)-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoic acid has a molecular weight of 202.23 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoic acid is sourced from PubChem (CID 9484226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).