2-methyl-3-[methyl-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoyl]amino]propanoic acid

C14H17N3O4S — CID 119228121

IUPAC2-methyl-3-[methyl-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoyl]amino]propanoic acid
SMILESCC(CN(C)C(=O)CCc1nnc(-c2ccsc2)o1)C(=O)O
InChIInChI=1S/C14H17N3O4S/c1-9(14(19)20)7-17(2)12(18)4-3-11-15-16-13(21-11)10-5-6-22-8-10/h5-6,8-9H,3-4,7H2,1-2H3,(H,19,20)
InChIKeyGMAZQDRPYAZCCR-UHFFFAOYSA-N
MW323.37 g/mol
LogP1.91
Rot. Bonds7

About 2-methyl-3-[methyl-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoyl]amino]propanoic acid

2-methyl-3-[methyl-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoyl]amino]propanoic acid (PubChem CID 119228121) has the molecular formula C14H17N3O4S and a molecular weight of 323.37 g/mol. Its IUPAC name is 2-methyl-3-[methyl-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[methyl-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoyl]amino]propanoic acid
PubChem CID119228121
Molecular FormulaC14H17N3O4S
Molecular Weight323.37 g/mol
Exact Mass323.09
IUPAC Name2-methyl-3-[methyl-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoyl]amino]propanoic acid
SMILESCC(CN(C)C(=O)CCc1nnc(-c2ccsc2)o1)C(=O)O
InChIInChI=1S/C14H17N3O4S/c1-9(14(19)20)7-17(2)12(18)4-3-11-15-16-13(21-11)10-5-6-22-8-10/h5-6,8-9H,3-4,7H2,1-2H3,(H,19,20)
InChIKeyGMAZQDRPYAZCCR-UHFFFAOYSA-N
XLogP1.91
TPSA96.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-methyl-3-[methyl-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoyl]amino]propanoic acid with MolForge

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Related Compounds

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CID 51076251
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CID 51886384
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 38087106
methyl 2-methyl-5-[[methyl-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoyl]amino]methyl]furan-3-carboxylate
CID 38035072
N-(4-propan-2-ylphenyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 38012862
2-cyclopropyl-2-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoylamino]acetic acid
CID 119213403
(4-phenylphenyl)methyl 3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoate
CID 34485693
N-[(1R)-1-phenylethyl]-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)acetamide
CID 95100273
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 38035098
N-ethyl-N-[[(3R)-oxolan-3-yl]methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 94181333
N-(1,3-benzothiazol-2-yl)-N-(2-phenylethyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 55536976
N-[(4-cyanophenyl)methyl]-N-propyl-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 55594478

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoyl]amino]propanoic acid?
The IUPAC name of 2-methyl-3-[methyl-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoyl]amino]propanoic acid (CID 119228121) is 2-methyl-3-[methyl-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoyl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[methyl-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoyl]amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[methyl-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoyl]amino]propanoic acid is CC(CN(C)C(=O)CCc1nnc(-c2ccsc2)o1)C(=O)O.
What is the InChIKey of 2-methyl-3-[methyl-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoyl]amino]propanoic acid?
The InChIKey is GMAZQDRPYAZCCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4S/c1-9(14(19)20)7-17(2)12(18)4-3-11-15-16-13(21-11)10-5-6-22-8-10/h5-6,8-9H,3-4,7H2,1-2H3,(H,19,20).
What are the key properties of 2-methyl-3-[methyl-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoyl]amino]propanoic acid?
2-methyl-3-[methyl-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoyl]amino]propanoic acid has a molecular weight of 323.37 g/mol, XLogP of 1.91, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoyl]amino]propanoic acid is sourced from PubChem (CID 119228121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).