methyl 3-[2-methoxyethyl-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]amino]propanoate

C13H21N3O5 — CID 78959151

IUPACmethyl 3-[2-methoxyethyl-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]amino]propanoate
SMILESCOCCN(CCC(=O)OC)C(=O)CCc1nc(C)no1
InChIInChI=1S/C13H21N3O5/c1-10-14-11(21-15-10)4-5-12(17)16(8-9-19-2)7-6-13(18)20-3/h4-9H2,1-3H3
InChIKeyXXDCBUYWKZOKNX-UHFFFAOYSA-N
MW299.33 g/mol
LogP0.35
Rot. Bonds9

About methyl 3-[2-methoxyethyl-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]amino]propanoate

methyl 3-[2-methoxyethyl-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]amino]propanoate (PubChem CID 78959151) has the molecular formula C13H21N3O5 and a molecular weight of 299.33 g/mol. Its IUPAC name is methyl 3-[2-methoxyethyl-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[2-methoxyethyl-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]amino]propanoate
PubChem CID78959151
Molecular FormulaC13H21N3O5
Molecular Weight299.33 g/mol
Exact Mass299.15
IUPAC Namemethyl 3-[2-methoxyethyl-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]amino]propanoate
SMILESCOCCN(CCC(=O)OC)C(=O)CCc1nc(C)no1
InChIInChI=1S/C13H21N3O5/c1-10-14-11(21-15-10)4-5-12(17)16(8-9-19-2)7-6-13(18)20-3/h4-9H2,1-3H3
InChIKeyXXDCBUYWKZOKNX-UHFFFAOYSA-N
XLogP0.35
TPSA94.76 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
CID 113339840
3-[methyl-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]amino]propanoic acid
CID 60989687
methyl 3-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoyl-(2-methylpropyl)amino]propanoate
CID 55820097
methyl 3-[2-methylpropyl-[3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]amino]propanoate
CID 55820741
methyl 2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]acetate
CID 106417020
N,N-diethyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
CID 86982229
3-[cyclopropyl-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]amino]propanoic acid
CID 60844374
methyl 3-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)-(2-methoxyethyl)amino]propanoate
CID 79026392
methyl 3-[2-methoxyethyl-(2-methylsulfanylacetyl)amino]propanoate
CID 78958925
methyl 3-[3,3-dimethylbutanoyl(2-methoxyethyl)amino]propanoate
CID 78959557
N-(2-amino-2-oxoethyl)-N-(2-methoxyethyl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 71881004
2-[2-methoxyethyl-[3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]amino]acetic acid
CID 119189019

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-methoxyethyl-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]amino]propanoate?
The IUPAC name of methyl 3-[2-methoxyethyl-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]amino]propanoate (CID 78959151) is methyl 3-[2-methoxyethyl-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]amino]propanoate.
What is the SMILES notation for methyl 3-[2-methoxyethyl-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]amino]propanoate?
The canonical SMILES for methyl 3-[2-methoxyethyl-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]amino]propanoate is COCCN(CCC(=O)OC)C(=O)CCc1nc(C)no1.
What is the InChIKey of methyl 3-[2-methoxyethyl-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]amino]propanoate?
The InChIKey is XXDCBUYWKZOKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O5/c1-10-14-11(21-15-10)4-5-12(17)16(8-9-19-2)7-6-13(18)20-3/h4-9H2,1-3H3.
What are the key properties of methyl 3-[2-methoxyethyl-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]amino]propanoate?
methyl 3-[2-methoxyethyl-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]amino]propanoate has a molecular weight of 299.33 g/mol, XLogP of 0.35, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-methoxyethyl-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]amino]propanoate is sourced from PubChem (CID 78959151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).