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

C10H17N3O3 — CID 106399627

IUPACmethyl 2,2-dimethyl-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propanoate
SMILESCOC(=O)C(C)(C)CNCCc1ncno1
InChIInChI=1S/C10H17N3O3/c1-10(2,9(14)15-3)6-11-5-4-8-12-7-13-16-8/h7,11H,4-6H2,1-3H3
InChIKeyOZMDFJNRWZXTOX-UHFFFAOYSA-N
MW227.26 g/mol
LogP0.40
Rot. Bonds6

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

methyl 2,2-dimethyl-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propanoate (PubChem CID 106399627) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is methyl 2,2-dimethyl-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propanoate.

Molecular Properties

Compound Namemethyl 2,2-dimethyl-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propanoate
PubChem CID106399627
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Namemethyl 2,2-dimethyl-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propanoate
SMILESCOC(=O)C(C)(C)CNCCc1ncno1
InChIInChI=1S/C10H17N3O3/c1-10(2,9(14)15-3)6-11-5-4-8-12-7-13-16-8/h7,11H,4-6H2,1-3H3
InChIKeyOZMDFJNRWZXTOX-UHFFFAOYSA-N
XLogP0.40
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3,3,3-Trifluoro-2-[[2-(1,2,4-oxadiazol-5-yl)ethylamino]methyl]propanoic acid
CID 106401873
N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 114183949
tert-butyl N-[2-(1,2,4-oxadiazol-5-yl)ethyl]carbamate
CID 54593050
3-amino-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 106397444
2-(1,2,4-Oxadiazol-5-yl)ethyl 3-aminopropanoate
CID 156106370
3-nitroso-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 156106374
3-(diaminomethylideneamino)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 156106453
CID 156641829
CID 156641829
CID 156641921
CID 156641921
tert-butyl N-[2-(3-methoxy-1,2,4-oxadiazol-5-yl)ethyl]carbamate
CID 165125198
Ethyl 3-(1,2,4-oxadiazol-5-ylmethylamino)propanoate
CID 61971145
I(2)-Methyl-1,2,4-oxadiazole-5-ethanamine
CID 82235871

Frequently Asked Questions

What is the IUPAC name of methyl 2,2-dimethyl-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propanoate?
The IUPAC name of methyl 2,2-dimethyl-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propanoate (CID 106399627) is methyl 2,2-dimethyl-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propanoate.
What is the SMILES notation for methyl 2,2-dimethyl-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propanoate?
The canonical SMILES for methyl 2,2-dimethyl-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propanoate is COC(=O)C(C)(C)CNCCc1ncno1.
What is the InChIKey of methyl 2,2-dimethyl-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propanoate?
The InChIKey is OZMDFJNRWZXTOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-10(2,9(14)15-3)6-11-5-4-8-12-7-13-16-8/h7,11H,4-6H2,1-3H3.
What are the key properties of methyl 2,2-dimethyl-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propanoate?
methyl 2,2-dimethyl-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propanoate has a molecular weight of 227.26 g/mol, XLogP of 0.40, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2-dimethyl-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propanoate is sourced from PubChem (CID 106399627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).