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

C9H15N3O4 — CID 106399515

IUPACmethyl 2-hydroxy-2-methyl-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propanoate
SMILESCOC(=O)C(C)(O)CNCCc1ncno1
InChIInChI=1S/C9H15N3O4/c1-9(14,8(13)15-2)5-10-4-3-7-11-6-12-16-7/h6,10,14H,3-5H2,1-2H3
InChIKeyLQIXTQISLBQIDZ-UHFFFAOYSA-N
MW229.24 g/mol
LogP-0.87
Rot. Bonds6

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

methyl 2-hydroxy-2-methyl-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propanoate (PubChem CID 106399515) has the molecular formula C9H15N3O4 and a molecular weight of 229.24 g/mol. Its IUPAC name is methyl 2-hydroxy-2-methyl-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propanoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-2-methyl-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propanoate
PubChem CID106399515
Molecular FormulaC9H15N3O4
Molecular Weight229.24 g/mol
Exact Mass229.11
IUPAC Namemethyl 2-hydroxy-2-methyl-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propanoate
SMILESCOC(=O)C(C)(O)CNCCc1ncno1
InChIInChI=1S/C9H15N3O4/c1-9(14,8(13)15-2)5-10-4-3-7-11-6-12-16-7/h6,10,14H,3-5H2,1-2H3
InChIKeyLQIXTQISLBQIDZ-UHFFFAOYSA-N
XLogP-0.87
TPSA97.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 5-0.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyethoxy)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 103744018
2-methoxy-2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 103744045
2-[2-(1,2,4-Oxadiazol-5-yl)ethylamino]-2-oxoacetic acid
CID 104768296
2-[2-[2-(1,2,4-Oxadiazol-5-yl)ethylamino]-2-oxoethoxy]acetic acid
CID 106394688
Methyl 2-hydroxy-2-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propanoate
CID 106397891
Methyl 2-hydroxy-2-methyl-3-(1,2,4-oxadiazol-3-ylmethylamino)propanoate
CID 106398568
2-Methyl-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propanoic acid
CID 106399525
1-(1-Methoxypropan-2-yloxy)-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propan-2-ol
CID 106399530
1-(2-Butoxyethoxy)-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propan-2-ol
CID 106399575
1-[2-(1,2,4-Oxadiazol-5-yl)ethylamino]-3-propan-2-yloxypropan-2-ol
CID 106399577
Methyl 2,2-dimethyl-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propanoate
CID 106399627
1-Butoxy-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propan-2-ol
CID 106399693

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-2-methyl-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propanoate?
The IUPAC name of methyl 2-hydroxy-2-methyl-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propanoate (CID 106399515) is methyl 2-hydroxy-2-methyl-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propanoate.
What is the SMILES notation for methyl 2-hydroxy-2-methyl-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propanoate?
The canonical SMILES for methyl 2-hydroxy-2-methyl-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propanoate is COC(=O)C(C)(O)CNCCc1ncno1.
What is the InChIKey of methyl 2-hydroxy-2-methyl-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propanoate?
The InChIKey is LQIXTQISLBQIDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O4/c1-9(14,8(13)15-2)5-10-4-3-7-11-6-12-16-7/h6,10,14H,3-5H2,1-2H3.
What are the key properties of methyl 2-hydroxy-2-methyl-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propanoate?
methyl 2-hydroxy-2-methyl-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propanoate has a molecular weight of 229.24 g/mol, XLogP of -0.87, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-2-methyl-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propanoate is sourced from PubChem (CID 106399515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).