methyl 2-methyl-3-[methyl-[(1-methylpyrazol-3-yl)methyl]amino]propanoate

C11H19N3O2 — CID 82853966

IUPACmethyl 2-methyl-3-[methyl-[(1-methylpyrazol-3-yl)methyl]amino]propanoate
SMILESCOC(=O)C(C)CN(C)Cc1ccn(C)n1
InChIInChI=1S/C11H19N3O2/c1-9(11(15)16-4)7-13(2)8-10-5-6-14(3)12-10/h5-6,9H,7-8H2,1-4H3
InChIKeyNDVBTBMELNZBJI-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.66
Rot. Bonds5

About methyl 2-methyl-3-[methyl-[(1-methylpyrazol-3-yl)methyl]amino]propanoate

methyl 2-methyl-3-[methyl-[(1-methylpyrazol-3-yl)methyl]amino]propanoate (PubChem CID 82853966) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is methyl 2-methyl-3-[methyl-[(1-methylpyrazol-3-yl)methyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-3-[methyl-[(1-methylpyrazol-3-yl)methyl]amino]propanoate
PubChem CID82853966
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Namemethyl 2-methyl-3-[methyl-[(1-methylpyrazol-3-yl)methyl]amino]propanoate
SMILESCOC(=O)C(C)CN(C)Cc1ccn(C)n1
InChIInChI=1S/C11H19N3O2/c1-9(11(15)16-4)7-13(2)8-10-5-6-14(3)12-10/h5-6,9H,7-8H2,1-4H3
InChIKeyNDVBTBMELNZBJI-UHFFFAOYSA-N
XLogP0.66
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-1-N-methyl-1-N-[(1-methylpyrazol-3-yl)methyl]propane-1,2-diamine
CID 82870860
methyl 2-methyl-3-[methyl(pyridin-2-ylmethyl)amino]propanoate
CID 43565155
methyl 2-methyl-3-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]propanoate
CID 60965753
methyl 2-methyl-3-[methyl-[(4-methylphenyl)methyl]amino]propanoate
CID 43398385
3-[methyl-[(1-methylpyrazol-3-yl)methyl]amino]propanethioamide
CID 82866501
methyl 3-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]-2-methylpropanoate
CID 61235969
methyl 3-[(3-ethylimidazol-4-yl)methyl-methylamino]-2-methylpropanoate
CID 66153384
2-[methyl-[(1-methylpyrazol-3-yl)methyl]amino]ethanethioamide
CID 82866933
methyl (2S)-2-methyl-3-[methyl(pyridin-3-ylmethyl)amino]propanoate
CID 93035101
1-methyl-1-[(1-methylpyrazol-3-yl)methyl]hydrazine
CID 123416642
methyl 2-methyl-4-[(1-methylpyrazol-3-yl)amino]pentanoate
CID 104646481
methyl 3-[(2-bromo-5-fluorophenyl)methyl-methylamino]-2-methylpropanoate
CID 62012083

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-[methyl-[(1-methylpyrazol-3-yl)methyl]amino]propanoate?
The IUPAC name of methyl 2-methyl-3-[methyl-[(1-methylpyrazol-3-yl)methyl]amino]propanoate (CID 82853966) is methyl 2-methyl-3-[methyl-[(1-methylpyrazol-3-yl)methyl]amino]propanoate.
What is the SMILES notation for methyl 2-methyl-3-[methyl-[(1-methylpyrazol-3-yl)methyl]amino]propanoate?
The canonical SMILES for methyl 2-methyl-3-[methyl-[(1-methylpyrazol-3-yl)methyl]amino]propanoate is COC(=O)C(C)CN(C)Cc1ccn(C)n1.
What is the InChIKey of methyl 2-methyl-3-[methyl-[(1-methylpyrazol-3-yl)methyl]amino]propanoate?
The InChIKey is NDVBTBMELNZBJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-9(11(15)16-4)7-13(2)8-10-5-6-14(3)12-10/h5-6,9H,7-8H2,1-4H3.
What are the key properties of methyl 2-methyl-3-[methyl-[(1-methylpyrazol-3-yl)methyl]amino]propanoate?
methyl 2-methyl-3-[methyl-[(1-methylpyrazol-3-yl)methyl]amino]propanoate has a molecular weight of 225.29 g/mol, XLogP of 0.66, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-[methyl-[(1-methylpyrazol-3-yl)methyl]amino]propanoate is sourced from PubChem (CID 82853966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).