(2R)-2-amino-3-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propanoic acid

C10H17N3O3S — CID 61142370

IUPAC(2R)-2-amino-3-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propanoic acid
SMILESCCCCc1noc(CSC[C@H](N)C(=O)O)n1
InChIInChI=1S/C10H17N3O3S/c1-2-3-4-8-12-9(16-13-8)6-17-5-7(11)10(14)15/h7H,2-6,11H2,1H3,(H,14,15)/t7-/m0/s1
InChIKeyAYLOBADLCALNPV-ZETCQYMHSA-N
MW259.33 g/mol
LogP1.06
Rot. Bonds8

About (2R)-2-amino-3-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propanoic acid

(2R)-2-amino-3-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propanoic acid (PubChem CID 61142370) has the molecular formula C10H17N3O3S and a molecular weight of 259.33 g/mol. Its IUPAC name is (2R)-2-amino-3-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propanoic acid
PubChem CID61142370
Molecular FormulaC10H17N3O3S
Molecular Weight259.33 g/mol
Exact Mass259.10
IUPAC Name(2R)-2-amino-3-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propanoic acid
SMILESCCCCc1noc(CSC[C@H](N)C(=O)O)n1
InChIInChI=1S/C10H17N3O3S/c1-2-3-4-8-12-9(16-13-8)6-17-5-7(11)10(14)15/h7H,2-6,11H2,1H3,(H,14,15)/t7-/m0/s1
InChIKeyAYLOBADLCALNPV-ZETCQYMHSA-N
XLogP1.06
TPSA102.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propanoic acid?
The IUPAC name of (2R)-2-amino-3-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propanoic acid (CID 61142370) is (2R)-2-amino-3-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propanoic acid.
What is the SMILES notation for (2R)-2-amino-3-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propanoic acid?
The canonical SMILES for (2R)-2-amino-3-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propanoic acid is CCCCc1noc(CSC[C@H](N)C(=O)O)n1.
What is the InChIKey of (2R)-2-amino-3-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propanoic acid?
The InChIKey is AYLOBADLCALNPV-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H17N3O3S/c1-2-3-4-8-12-9(16-13-8)6-17-5-7(11)10(14)15/h7H,2-6,11H2,1H3,(H,14,15)/t7-/m0/s1.
What are the key properties of (2R)-2-amino-3-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propanoic acid?
(2R)-2-amino-3-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propanoic acid has a molecular weight of 259.33 g/mol, XLogP of 1.06, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propanoic acid is sourced from PubChem (CID 61142370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).