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

C10H17N3O2 — CID 82869167

IUPAC3-methyl-2-[(1-methylpyrazol-3-yl)methylamino]butanoic acid
SMILESCC(C)C(NCc1ccn(C)n1)C(=O)O
InChIInChI=1S/C10H17N3O2/c1-7(2)9(10(14)15)11-6-8-4-5-13(3)12-8/h4-5,7,9,11H,6H2,1-3H3,(H,14,15)
InChIKeyXRPMXSLJLXKMRE-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.62
Rot. Bonds5

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

3-methyl-2-[(1-methylpyrazol-3-yl)methylamino]butanoic acid (PubChem CID 82869167) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 3-methyl-2-[(1-methylpyrazol-3-yl)methylamino]butanoic acid.

Molecular Properties

Compound Name3-methyl-2-[(1-methylpyrazol-3-yl)methylamino]butanoic acid
PubChem CID82869167
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name3-methyl-2-[(1-methylpyrazol-3-yl)methylamino]butanoic acid
SMILESCC(C)C(NCc1ccn(C)n1)C(=O)O
InChIInChI=1S/C10H17N3O2/c1-7(2)9(10(14)15)11-6-8-4-5-13(3)12-8/h4-5,7,9,11H,6H2,1-3H3,(H,14,15)
InChIKeyXRPMXSLJLXKMRE-UHFFFAOYSA-N
XLogP0.62
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[(1-methylpyrazol-3-yl)methyl]butan-2-amine
CID 78920945
2-methyl-3-[(1-methylpyrazol-3-yl)methylamino]-3-oxopropanoic acid
CID 114898886
2-cyclopropyl-2-[(1-methylpyrazol-3-yl)methylamino]acetic acid
CID 82868834
3-[(1-methylpyrazol-3-yl)methylamino]butan-2-ol
CID 82882501
2-[(1-methylpyrazol-3-yl)methylamino]-N-phenylpropanamide
CID 78955434
2-[[9-[[(1-carboxy-2-methylpropyl)amino]methyl]-1,10-phenanthrolin-2-yl]methylamino]-3-methylbutanoic acid
CID 15870324
(2S)-2-amino-3-methyl-N-[(1-methylpyrazol-3-yl)methyl]butanamide
CID 82882870
2-methyl-3-[(1-methylpyrazol-3-yl)methylamino]propanamide
CID 82881515
2-[methyl-[(1-methylpyrazol-3-yl)methylcarbamoyl]amino]propanoic acid
CID 82873833
1-bromo-N-[(1-methylpyrazol-3-yl)methyl]propan-2-amine
CID 107859736
2-bromo-N-[(1-methylpyrazol-3-yl)methyl]propanamide
CID 107905639
5-methyl-N-[(1-methylpyrazol-3-yl)methyl]hexan-2-amine
CID 78920997

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(1-methylpyrazol-3-yl)methylamino]butanoic acid?
The IUPAC name of 3-methyl-2-[(1-methylpyrazol-3-yl)methylamino]butanoic acid (CID 82869167) is 3-methyl-2-[(1-methylpyrazol-3-yl)methylamino]butanoic acid.
What is the SMILES notation for 3-methyl-2-[(1-methylpyrazol-3-yl)methylamino]butanoic acid?
The canonical SMILES for 3-methyl-2-[(1-methylpyrazol-3-yl)methylamino]butanoic acid is CC(C)C(NCc1ccn(C)n1)C(=O)O.
What is the InChIKey of 3-methyl-2-[(1-methylpyrazol-3-yl)methylamino]butanoic acid?
The InChIKey is XRPMXSLJLXKMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-7(2)9(10(14)15)11-6-8-4-5-13(3)12-8/h4-5,7,9,11H,6H2,1-3H3,(H,14,15).
What are the key properties of 3-methyl-2-[(1-methylpyrazol-3-yl)methylamino]butanoic acid?
3-methyl-2-[(1-methylpyrazol-3-yl)methylamino]butanoic acid has a molecular weight of 211.26 g/mol, XLogP of 0.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(1-methylpyrazol-3-yl)methylamino]butanoic acid is sourced from PubChem (CID 82869167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).