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

C10H17N3O2 — CID 78969503

IUPAC2-methyl-2-[(1-methylpyrazol-4-yl)methylamino]butanoic acid
SMILESCCC(C)(NCc1cnn(C)c1)C(=O)O
InChIInChI=1S/C10H17N3O2/c1-4-10(2,9(14)15)11-5-8-6-12-13(3)7-8/h6-7,11H,4-5H2,1-3H3,(H,14,15)
InChIKeyRKXAVJHWKYUDFO-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.76
Rot. Bonds5

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

2-methyl-2-[(1-methylpyrazol-4-yl)methylamino]butanoic acid (PubChem CID 78969503) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-methyl-2-[(1-methylpyrazol-4-yl)methylamino]butanoic acid.

Molecular Properties

Compound Name2-methyl-2-[(1-methylpyrazol-4-yl)methylamino]butanoic acid
PubChem CID78969503
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name2-methyl-2-[(1-methylpyrazol-4-yl)methylamino]butanoic acid
SMILESCCC(C)(NCc1cnn(C)c1)C(=O)O
InChIInChI=1S/C10H17N3O2/c1-4-10(2,9(14)15)11-5-8-6-12-13(3)7-8/h6-7,11H,4-5H2,1-3H3,(H,14,15)
InChIKeyRKXAVJHWKYUDFO-UHFFFAOYSA-N
XLogP0.76
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 ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,2,3-trimethyl-3-[(1-methylpyrazol-4-yl)methylamino]butanoic acid
CID 65265166
2-methyl-2-[3-(1-methylpyrazol-4-yl)propanoylamino]butanoic acid
CID 119199294
2,2-dimethyl-3-[(1-methylpyrazol-4-yl)methylamino]-3-oxopropanoic acid
CID 82820912
2-(ethylamino)-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide
CID 62836683
2-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]butanoic acid
CID 79792160
2-[(4-ethylphenyl)methylamino]-2-methylbutanoic acid
CID 79801788
3-(chloromethyl)-N-[(1-methylpyrazol-4-yl)methyl]pentan-3-amine
CID 65029980
2-methyl-2-[methyl-[(1-methylpyrazol-4-yl)methylcarbamoyl]amino]propanoic acid
CID 62820296
2,2-dimethyl-4-[(1-methylpyrazol-4-yl)methylcarbamoylamino]-4-oxobutanoic acid
CID 65301891
2-(1-methylpyrazol-4-yl)ethane-1,1,1-tricarboxylic acid
CID 91254257
2-[(3,4-dichlorophenyl)methylamino]-2-methylbutanoic acid
CID 79791567
4-[[(1-methylpyrazol-4-yl)methylamino]methyl]benzoic acid
CID 19624593

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(1-methylpyrazol-4-yl)methylamino]butanoic acid?
The IUPAC name of 2-methyl-2-[(1-methylpyrazol-4-yl)methylamino]butanoic acid (CID 78969503) is 2-methyl-2-[(1-methylpyrazol-4-yl)methylamino]butanoic acid.
What is the SMILES notation for 2-methyl-2-[(1-methylpyrazol-4-yl)methylamino]butanoic acid?
The canonical SMILES for 2-methyl-2-[(1-methylpyrazol-4-yl)methylamino]butanoic acid is CCC(C)(NCc1cnn(C)c1)C(=O)O.
What is the InChIKey of 2-methyl-2-[(1-methylpyrazol-4-yl)methylamino]butanoic acid?
The InChIKey is RKXAVJHWKYUDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-4-10(2,9(14)15)11-5-8-6-12-13(3)7-8/h6-7,11H,4-5H2,1-3H3,(H,14,15).
What are the key properties of 2-methyl-2-[(1-methylpyrazol-4-yl)methylamino]butanoic acid?
2-methyl-2-[(1-methylpyrazol-4-yl)methylamino]butanoic acid has a molecular weight of 211.26 g/mol, XLogP of 0.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(1-methylpyrazol-4-yl)methylamino]butanoic acid is sourced from PubChem (CID 78969503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).