2-(aminomethyl)-3-(2,5-dimethylpyrazol-3-yl)-2-methylpropanoic acid

C10H17N3O2 — CID 106487225

IUPAC2-(aminomethyl)-3-(2,5-dimethylpyrazol-3-yl)-2-methylpropanoic acid
SMILESCc1cc(CC(C)(CN)C(=O)O)n(C)n1
InChIInChI=1S/C10H17N3O2/c1-7-4-8(13(3)12-7)5-10(2,6-11)9(14)15/h4H,5-6,11H2,1-3H3,(H,14,15)
InChIKeyRLTISRWLIMMRCI-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.32
Rot. Bonds4

About 2-(aminomethyl)-3-(2,5-dimethylpyrazol-3-yl)-2-methylpropanoic acid

2-(aminomethyl)-3-(2,5-dimethylpyrazol-3-yl)-2-methylpropanoic acid (PubChem CID 106487225) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-(aminomethyl)-3-(2,5-dimethylpyrazol-3-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(aminomethyl)-3-(2,5-dimethylpyrazol-3-yl)-2-methylpropanoic acid
PubChem CID106487225
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name2-(aminomethyl)-3-(2,5-dimethylpyrazol-3-yl)-2-methylpropanoic acid
SMILESCc1cc(CC(C)(CN)C(=O)O)n(C)n1
InChIInChI=1S/C10H17N3O2/c1-7-4-8(13(3)12-7)5-10(2,6-11)9(14)15/h4H,5-6,11H2,1-3H3,(H,14,15)
InChIKeyRLTISRWLIMMRCI-UHFFFAOYSA-N
XLogP0.32
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-3-(2-ethyl-5-methylpyrazol-3-yl)-2-methylpropanoic acid
CID 106487287
2-[[2-(2,5-dimethylpyrazol-3-yl)acetyl]amino]-2-methylpropanoic acid
CID 110836652
2-cyclopentyl-2-[(2,5-dimethylpyrazol-3-yl)methyl]-3-methoxy-3-oxopropanoic acid
CID 103974708
2-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methylbutan-1-ol
CID 66058323
2-(aminomethyl)-2-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)propan-1-ol
CID 106506636
2-[(2,5-dimethylpyrazol-3-yl)methylamino]-2-ethylbutanoic acid
CID 79809719
6-amino-2-[(2,5-dimethylpyrazol-3-yl)methyl]hexanoic acid
CID 104681535
2-(aminomethyl)-2-(cyclopropylmethyl)-3-(2,5-dimethylpyrazol-3-yl)propan-1-ol
CID 106506893
[2-[(2,5-dimethylpyrazol-3-yl)methyl]cyclobutyl]methanamine
CID 81010612
1-(2,5-dimethylpyrazol-3-yl)-3-methyl-3-piperidin-1-ylbutan-2-one
CID 79044913
1-(2,5-dimethylpyrazol-3-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-ol
CID 103312547
(2S)-2-amino-3-(2,5-dimethylpyrazol-3-yl)propanamide
CID 141403090

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-(2,5-dimethylpyrazol-3-yl)-2-methylpropanoic acid?
The IUPAC name of 2-(aminomethyl)-3-(2,5-dimethylpyrazol-3-yl)-2-methylpropanoic acid (CID 106487225) is 2-(aminomethyl)-3-(2,5-dimethylpyrazol-3-yl)-2-methylpropanoic acid.
What is the SMILES notation for 2-(aminomethyl)-3-(2,5-dimethylpyrazol-3-yl)-2-methylpropanoic acid?
The canonical SMILES for 2-(aminomethyl)-3-(2,5-dimethylpyrazol-3-yl)-2-methylpropanoic acid is Cc1cc(CC(C)(CN)C(=O)O)n(C)n1.
What is the InChIKey of 2-(aminomethyl)-3-(2,5-dimethylpyrazol-3-yl)-2-methylpropanoic acid?
The InChIKey is RLTISRWLIMMRCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-7-4-8(13(3)12-7)5-10(2,6-11)9(14)15/h4H,5-6,11H2,1-3H3,(H,14,15).
What are the key properties of 2-(aminomethyl)-3-(2,5-dimethylpyrazol-3-yl)-2-methylpropanoic acid?
2-(aminomethyl)-3-(2,5-dimethylpyrazol-3-yl)-2-methylpropanoic acid has a molecular weight of 211.26 g/mol, XLogP of 0.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-(2,5-dimethylpyrazol-3-yl)-2-methylpropanoic acid is sourced from PubChem (CID 106487225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).