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

C10H17N3O3 — CID 60969554

IUPACmethyl 2-methyl-3-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]propanoate
SMILESCOC(=O)C(C)CN(C)Cc1nnc(C)o1
InChIInChI=1S/C10H17N3O3/c1-7(10(14)15-4)5-13(3)6-9-12-11-8(2)16-9/h7H,5-6H2,1-4H3
InChIKeyFGSAAEASGFPCSZ-UHFFFAOYSA-N
MW227.26 g/mol
LogP0.62
Rot. Bonds5

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

methyl 2-methyl-3-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]propanoate (PubChem CID 60969554) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is methyl 2-methyl-3-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-3-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]propanoate
PubChem CID60969554
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Namemethyl 2-methyl-3-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]propanoate
SMILESCOC(=O)C(C)CN(C)Cc1nnc(C)o1
InChIInChI=1S/C10H17N3O3/c1-7(10(14)15-4)5-13(3)6-9-12-11-8(2)16-9/h7H,5-6H2,1-4H3
InChIKeyFGSAAEASGFPCSZ-UHFFFAOYSA-N
XLogP0.62
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-methyl-3-[methyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]propanoate
CID 62011302
methyl 3-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]-2-methylpropanoate
CID 61235969
methyl 3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]-2-methylpropanoate
CID 60971190
methyl 2-methyl-3-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]propanoate
CID 60965753
methyl 2-methyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoate
CID 62255417
methyl 2-methyl-3-[methyl-[(4-methylphenyl)methyl]amino]propanoate
CID 43398385
2-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]propanoic acid
CID 62637074
methyl 3-[formyl(methyl)amino]-2-methylpropanoate
CID 64992660
methyl (2S)-3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]-2-methylpropanoate
CID 94178799
methyl 2-methyl-3-[methyl(pyridin-2-ylmethyl)amino]propanoate
CID 43565155
methyl 3-[(5-bromothiophen-2-yl)methyl-methylamino]-2-methylpropanoate
CID 55028537
methyl 3-[(2-ethoxy-2-oxoethyl)-methylamino]-2-methylpropanoate
CID 60966424

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]propanoate?
The IUPAC name of methyl 2-methyl-3-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]propanoate (CID 60969554) is methyl 2-methyl-3-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]propanoate.
What is the SMILES notation for methyl 2-methyl-3-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]propanoate?
The canonical SMILES for methyl 2-methyl-3-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]propanoate is COC(=O)C(C)CN(C)Cc1nnc(C)o1.
What is the InChIKey of methyl 2-methyl-3-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]propanoate?
The InChIKey is FGSAAEASGFPCSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-7(10(14)15-4)5-13(3)6-9-12-11-8(2)16-9/h7H,5-6H2,1-4H3.
What are the key properties of methyl 2-methyl-3-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]propanoate?
methyl 2-methyl-3-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]propanoate has a molecular weight of 227.26 g/mol, XLogP of 0.62, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]propanoate is sourced from PubChem (CID 60969554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).