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

C15H19N3O4S — CID 119200045

IUPAC2-methyl-2-[methyl-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoyl]amino]propanoic acid
SMILESCN(C(=O)CCCc1nc(-c2cccs2)no1)C(C)(C)C(=O)O
InChIInChI=1S/C15H19N3O4S/c1-15(2,14(20)21)18(3)12(19)8-4-7-11-16-13(17-22-11)10-6-5-9-23-10/h5-6,9H,4,7-8H2,1-3H3,(H,20,21)
InChIKeyNOZSRXIHMWUDHX-UHFFFAOYSA-N
MW337.40 g/mol
LogP2.44
Rot. Bonds7

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

2-methyl-2-[methyl-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoyl]amino]propanoic acid (PubChem CID 119200045) has the molecular formula C15H19N3O4S and a molecular weight of 337.40 g/mol. Its IUPAC name is 2-methyl-2-[methyl-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[methyl-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoyl]amino]propanoic acid
PubChem CID119200045
Molecular FormulaC15H19N3O4S
Molecular Weight337.40 g/mol
Exact Mass337.11
IUPAC Name2-methyl-2-[methyl-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoyl]amino]propanoic acid
SMILESCN(C(=O)CCCc1nc(-c2cccs2)no1)C(C)(C)C(=O)O
InChIInChI=1S/C15H19N3O4S/c1-15(2,14(20)21)18(3)12(19)8-4-7-11-16-13(17-22-11)10-6-5-9-23-10/h5-6,9H,4,7-8H2,1-3H3,(H,20,21)
InChIKeyNOZSRXIHMWUDHX-UHFFFAOYSA-N
XLogP2.44
TPSA96.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride
CID 119656857
2-[ethyl-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-2-methylpropanoic acid
CID 62820836
N-methoxy-N-methyl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 134012548
N-methyl-N-(2-methylpropyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 134058828
N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 111596630
3-methyl-2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]butanoic acid
CID 119169883
N-(2-amino-2-methylpropyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 119625948
naphthalen-2-yl 4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoate
CID 38887988
2-[propan-2-yl-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]amino]acetic acid
CID 119198537
N-[3-(aminomethyl)pentan-3-yl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 119571905
2-[2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]ethylsulfanyl]acetic acid
CID 119241569
1-[methyl-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]amino]cyclohexane-1-carboxylic acid
CID 120539581

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[methyl-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoyl]amino]propanoic acid?
The IUPAC name of 2-methyl-2-[methyl-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoyl]amino]propanoic acid (CID 119200045) is 2-methyl-2-[methyl-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoyl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[methyl-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoyl]amino]propanoic acid?
The canonical SMILES for 2-methyl-2-[methyl-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoyl]amino]propanoic acid is CN(C(=O)CCCc1nc(-c2cccs2)no1)C(C)(C)C(=O)O.
What is the InChIKey of 2-methyl-2-[methyl-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoyl]amino]propanoic acid?
The InChIKey is NOZSRXIHMWUDHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4S/c1-15(2,14(20)21)18(3)12(19)8-4-7-11-16-13(17-22-11)10-6-5-9-23-10/h5-6,9H,4,7-8H2,1-3H3,(H,20,21).
What are the key properties of 2-methyl-2-[methyl-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoyl]amino]propanoic acid?
2-methyl-2-[methyl-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoyl]amino]propanoic acid has a molecular weight of 337.40 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[methyl-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoyl]amino]propanoic acid is sourced from PubChem (CID 119200045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).