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

C10H17N3O3S — CID 62255094

IUPACethyl 2-amino-2-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butanoate
SMILESCCOC(=O)C(C)(N)CCSc1nnc(C)o1
InChIInChI=1S/C10H17N3O3S/c1-4-15-8(14)10(3,11)5-6-17-9-13-12-7(2)16-9/h4-6,11H2,1-3H3
InChIKeyDDHBJVQDOVFTAH-UHFFFAOYSA-N
MW259.33 g/mol
LogP1.14
Rot. Bonds6

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

ethyl 2-amino-2-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butanoate (PubChem CID 62255094) has the molecular formula C10H17N3O3S and a molecular weight of 259.33 g/mol. Its IUPAC name is ethyl 2-amino-2-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butanoate.

Molecular Properties

Compound Nameethyl 2-amino-2-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butanoate
PubChem CID62255094
Molecular FormulaC10H17N3O3S
Molecular Weight259.33 g/mol
Exact Mass259.10
IUPAC Nameethyl 2-amino-2-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butanoate
SMILESCCOC(=O)C(C)(N)CCSc1nnc(C)o1
InChIInChI=1S/C10H17N3O3S/c1-4-15-8(14)10(3,11)5-6-17-9-13-12-7(2)16-9/h4-6,11H2,1-3H3
InChIKeyDDHBJVQDOVFTAH-UHFFFAOYSA-N
XLogP1.14
TPSA91.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 2-methyl-2-(methylamino)-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]hexanoate
CID 62254728
ethyl 2-methyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-(propan-2-ylamino)pentanoate
CID 62253673
ethyl 2-(cyclopropylamino)-2-methyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pentanoate
CID 62255095
2-amino-2-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butanenitrile
CID 62253852
N'-hydroxy-2,2-dimethyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butanimidamide
CID 77062397
ethyl 4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-(propylamino)butanoate
CID 63035411
2-methyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-(propylamino)pentanamide
CID 62253671
ethyl 2-amino-4-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-methylbutanoate
CID 62403592
ethyl 2-amino-2-methyl-4-pyrimidin-4-ylsulfanylbutanoate
CID 63698194
2-(ethylamino)-2-methyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pentanoic acid
CID 62255628
ethyl 5-(3-cyano-3-methylbutyl)sulfanyl-1,3,4-oxadiazole-2-carboxylate
CID 116700292
2-ethoxy-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butanoic acid
CID 63097909

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-2-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butanoate?
The IUPAC name of ethyl 2-amino-2-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butanoate (CID 62255094) is ethyl 2-amino-2-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butanoate.
What is the SMILES notation for ethyl 2-amino-2-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butanoate?
The canonical SMILES for ethyl 2-amino-2-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butanoate is CCOC(=O)C(C)(N)CCSc1nnc(C)o1.
What is the InChIKey of ethyl 2-amino-2-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butanoate?
The InChIKey is DDHBJVQDOVFTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3S/c1-4-15-8(14)10(3,11)5-6-17-9-13-12-7(2)16-9/h4-6,11H2,1-3H3.
What are the key properties of ethyl 2-amino-2-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butanoate?
ethyl 2-amino-2-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butanoate has a molecular weight of 259.33 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-2-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butanoate is sourced from PubChem (CID 62255094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).