methyl 2-methyl-2-[(2-methylpyrazol-3-yl)methylamino]propanoate

C10H17N3O2 — CID 43726149

IUPACmethyl 2-methyl-2-[(2-methylpyrazol-3-yl)methylamino]propanoate
SMILESCOC(=O)C(C)(C)NCc1ccnn1C
InChIInChI=1S/C10H17N3O2/c1-10(2,9(14)15-4)11-7-8-5-6-12-13(8)3/h5-6,11H,7H2,1-4H3
InChIKeyOLGKBXPGXRHUTN-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.46
Rot. Bonds4

About methyl 2-methyl-2-[(2-methylpyrazol-3-yl)methylamino]propanoate

methyl 2-methyl-2-[(2-methylpyrazol-3-yl)methylamino]propanoate (PubChem CID 43726149) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is methyl 2-methyl-2-[(2-methylpyrazol-3-yl)methylamino]propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-[(2-methylpyrazol-3-yl)methylamino]propanoate
PubChem CID43726149
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Namemethyl 2-methyl-2-[(2-methylpyrazol-3-yl)methylamino]propanoate
SMILESCOC(=O)C(C)(C)NCc1ccnn1C
InChIInChI=1S/C10H17N3O2/c1-10(2,9(14)15-4)11-7-8-5-6-12-13(8)3/h5-6,11H,7H2,1-4H3
InChIKeyOLGKBXPGXRHUTN-UHFFFAOYSA-N
XLogP0.46
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-[(2-methylpyrazol-3-yl)methylamino]propanoate?
The IUPAC name of methyl 2-methyl-2-[(2-methylpyrazol-3-yl)methylamino]propanoate (CID 43726149) is methyl 2-methyl-2-[(2-methylpyrazol-3-yl)methylamino]propanoate.
What is the SMILES notation for methyl 2-methyl-2-[(2-methylpyrazol-3-yl)methylamino]propanoate?
The canonical SMILES for methyl 2-methyl-2-[(2-methylpyrazol-3-yl)methylamino]propanoate is COC(=O)C(C)(C)NCc1ccnn1C.
What is the InChIKey of methyl 2-methyl-2-[(2-methylpyrazol-3-yl)methylamino]propanoate?
The InChIKey is OLGKBXPGXRHUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-10(2,9(14)15-4)11-7-8-5-6-12-13(8)3/h5-6,11H,7H2,1-4H3.
What are the key properties of methyl 2-methyl-2-[(2-methylpyrazol-3-yl)methylamino]propanoate?
methyl 2-methyl-2-[(2-methylpyrazol-3-yl)methylamino]propanoate has a molecular weight of 211.26 g/mol, XLogP of 0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-[(2-methylpyrazol-3-yl)methylamino]propanoate is sourced from PubChem (CID 43726149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).