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

C13H21N3O4 — CID 62818114

IUPAC2-methyl-2-[methyl-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoyl]amino]propanoic acid
SMILESCCCc1noc(CCC(=O)N(C)C(C)(C)C(=O)O)n1
InChIInChI=1S/C13H21N3O4/c1-5-6-9-14-10(20-15-9)7-8-11(17)16(4)13(2,3)12(18)19/h5-8H2,1-4H3,(H,18,19)
InChIKeyKEAHAFXYSLCGNF-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.28
Rot. Bonds7

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

2-methyl-2-[methyl-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoyl]amino]propanoic acid (PubChem CID 62818114) has the molecular formula C13H21N3O4 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-methyl-2-[methyl-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[methyl-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoyl]amino]propanoic acid
PubChem CID62818114
Molecular FormulaC13H21N3O4
Molecular Weight283.33 g/mol
Exact Mass283.15
IUPAC Name2-methyl-2-[methyl-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoyl]amino]propanoic acid
SMILESCCCc1noc(CCC(=O)N(C)C(C)(C)C(=O)O)n1
InChIInChI=1S/C13H21N3O4/c1-5-6-9-14-10(20-15-9)7-8-11(17)16(4)13(2,3)12(18)19/h5-8H2,1-4H3,(H,18,19)
InChIKeyKEAHAFXYSLCGNF-UHFFFAOYSA-N
XLogP1.28
TPSA96.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-diethyl-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
CID 51076743
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
CID 103933442
N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide
CID 87011070
N-(1-hydroxy-2-methylbutan-2-yl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
CID 64557390
2-methyl-2-[methyl-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoyl]amino]propanoic acid
CID 119200045
N-(2-hydroxy-2-methylpentyl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
CID 103713290
N-(1-aminopropan-2-yl)-N-methyl-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide
CID 119584608
2-methyl-2-[methyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]propan-1-ol
CID 115640885
2-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoic acid
CID 43469214
2-[heptanoyl(methyl)amino]-2-methylpropanoic acid
CID 62817407
(2R)-3-hydroxy-2-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]propanoic acid
CID 80750774
3-hydroxy-2-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]propanoic acid
CID 43357554

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[methyl-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoyl]amino]propanoic acid?
The IUPAC name of 2-methyl-2-[methyl-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoyl]amino]propanoic acid (CID 62818114) is 2-methyl-2-[methyl-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoyl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[methyl-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoyl]amino]propanoic acid?
The canonical SMILES for 2-methyl-2-[methyl-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoyl]amino]propanoic acid is CCCc1noc(CCC(=O)N(C)C(C)(C)C(=O)O)n1.
What is the InChIKey of 2-methyl-2-[methyl-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoyl]amino]propanoic acid?
The InChIKey is KEAHAFXYSLCGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4/c1-5-6-9-14-10(20-15-9)7-8-11(17)16(4)13(2,3)12(18)19/h5-8H2,1-4H3,(H,18,19).
What are the key properties of 2-methyl-2-[methyl-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoyl]amino]propanoic acid?
2-methyl-2-[methyl-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoyl]amino]propanoic acid has a molecular weight of 283.33 g/mol, XLogP of 1.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[methyl-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoyl]amino]propanoic acid is sourced from PubChem (CID 62818114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).