methyl 2-(cyclopropylamino)-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butanoate

C11H17N3O3S — CID 63033099

IUPACmethyl 2-(cyclopropylamino)-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butanoate
SMILESCOC(=O)C(CCSc1nnc(C)o1)NC1CC1
InChIInChI=1S/C11H17N3O3S/c1-7-13-14-11(17-7)18-6-5-9(10(15)16-2)12-8-3-4-8/h8-9,12H,3-6H2,1-2H3
InChIKeyOKVSSEKHLLGBEP-UHFFFAOYSA-N
MW271.34 g/mol
LogP1.15
Rot. Bonds7

About methyl 2-(cyclopropylamino)-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butanoate

methyl 2-(cyclopropylamino)-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butanoate (PubChem CID 63033099) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is methyl 2-(cyclopropylamino)-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butanoate.

Molecular Properties

Compound Namemethyl 2-(cyclopropylamino)-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butanoate
PubChem CID63033099
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Namemethyl 2-(cyclopropylamino)-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butanoate
SMILESCOC(=O)C(CCSc1nnc(C)o1)NC1CC1
InChIInChI=1S/C11H17N3O3S/c1-7-13-14-11(17-7)18-6-5-9(10(15)16-2)12-8-3-4-8/h8-9,12H,3-6H2,1-2H3
InChIKeyOKVSSEKHLLGBEP-UHFFFAOYSA-N
XLogP1.15
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 2-(cyclopropylamino)-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclopropylamino)-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butanoate?
The IUPAC name of methyl 2-(cyclopropylamino)-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butanoate (CID 63033099) is methyl 2-(cyclopropylamino)-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butanoate.
What is the SMILES notation for methyl 2-(cyclopropylamino)-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butanoate?
The canonical SMILES for methyl 2-(cyclopropylamino)-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butanoate is COC(=O)C(CCSc1nnc(C)o1)NC1CC1.
What is the InChIKey of methyl 2-(cyclopropylamino)-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butanoate?
The InChIKey is OKVSSEKHLLGBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-7-13-14-11(17-7)18-6-5-9(10(15)16-2)12-8-3-4-8/h8-9,12H,3-6H2,1-2H3.
What are the key properties of methyl 2-(cyclopropylamino)-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butanoate?
methyl 2-(cyclopropylamino)-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butanoate has a molecular weight of 271.34 g/mol, XLogP of 1.15, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(cyclopropylamino)-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butanoate is sourced from PubChem (CID 63033099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).