2-methyl-3-[(1-methylpyrazol-4-yl)methylamino]propanoic acid

C9H15N3O2 — CID 61350630

IUPAC2-methyl-3-[(1-methylpyrazol-4-yl)methylamino]propanoic acid
SMILESCC(CNCc1cnn(C)c1)C(=O)O
InChIInChI=1S/C9H15N3O2/c1-7(9(13)14)3-10-4-8-5-11-12(2)6-8/h5-7,10H,3-4H2,1-2H3,(H,13,14)
InChIKeyWIAPITSLATVEMR-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.23
Rot. Bonds5

About 2-methyl-3-[(1-methylpyrazol-4-yl)methylamino]propanoic acid

2-methyl-3-[(1-methylpyrazol-4-yl)methylamino]propanoic acid (PubChem CID 61350630) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 2-methyl-3-[(1-methylpyrazol-4-yl)methylamino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[(1-methylpyrazol-4-yl)methylamino]propanoic acid
PubChem CID61350630
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name2-methyl-3-[(1-methylpyrazol-4-yl)methylamino]propanoic acid
SMILESCC(CNCc1cnn(C)c1)C(=O)O
InChIInChI=1S/C9H15N3O2/c1-7(9(13)14)3-10-4-8-5-11-12(2)6-8/h5-7,10H,3-4H2,1-2H3,(H,13,14)
InChIKeyWIAPITSLATVEMR-UHFFFAOYSA-N
XLogP0.23
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylpropyl)-2-[(1-methylpyrazol-4-yl)methylamino]acetamide
CID 61349855
2-methyl-6-[(1-methylpyrazol-4-yl)methylamino]heptanoic acid
CID 65289043
(2R)-3-[(1-methylpyrazol-4-yl)methylamino]propane-1,2-diol
CID 165487520
2,3-dimethyl-4-[(1-methylpyrazol-4-yl)methylamino]-4-oxobutanoic acid
CID 103498022
2-ethyl-N-[(1-methylpyrazol-4-yl)methyl]butan-1-amine
CID 61349630
2-[(1-methylpyrazol-4-yl)methylsulfamoyl]propanoic acid
CID 61457890
4-[[(1-methylpyrazol-4-yl)methylamino]methyl]benzoic acid
CID 19624593
1-(4-methylpentan-2-yloxy)-3-[(1-methylpyrazol-4-yl)methylamino]propan-2-ol
CID 61349844
3-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-methylpropanoic acid
CID 106035596
2-[[(1-methylpyrazol-4-yl)methylcarbamoylamino]methyl]butanoic acid
CID 65221879
2-methyl-4-[2-(1-methylpyrazol-4-yl)ethylcarbamoylamino]butanoic acid
CID 80689654
1-(ethylamino)-2-methyl-5-(1-methylpyrazol-4-yl)pentan-3-one
CID 103023663

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(1-methylpyrazol-4-yl)methylamino]propanoic acid?
The IUPAC name of 2-methyl-3-[(1-methylpyrazol-4-yl)methylamino]propanoic acid (CID 61350630) is 2-methyl-3-[(1-methylpyrazol-4-yl)methylamino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[(1-methylpyrazol-4-yl)methylamino]propanoic acid?
The canonical SMILES for 2-methyl-3-[(1-methylpyrazol-4-yl)methylamino]propanoic acid is CC(CNCc1cnn(C)c1)C(=O)O.
What is the InChIKey of 2-methyl-3-[(1-methylpyrazol-4-yl)methylamino]propanoic acid?
The InChIKey is WIAPITSLATVEMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-7(9(13)14)3-10-4-8-5-11-12(2)6-8/h5-7,10H,3-4H2,1-2H3,(H,13,14).
What are the key properties of 2-methyl-3-[(1-methylpyrazol-4-yl)methylamino]propanoic acid?
2-methyl-3-[(1-methylpyrazol-4-yl)methylamino]propanoic acid has a molecular weight of 197.24 g/mol, XLogP of 0.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(1-methylpyrazol-4-yl)methylamino]propanoic acid is sourced from PubChem (CID 61350630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).