2-(aminomethyl)-3-(2-ethyl-5-methylpyrazol-3-yl)-2-methylpropanoic acid

C11H19N3O2 — CID 106487287

IUPAC2-(aminomethyl)-3-(2-ethyl-5-methylpyrazol-3-yl)-2-methylpropanoic acid
SMILESCCn1nc(C)cc1CC(C)(CN)C(=O)O
InChIInChI=1S/C11H19N3O2/c1-4-14-9(5-8(2)13-14)6-11(3,7-12)10(15)16/h5H,4,6-7,12H2,1-3H3,(H,15,16)
InChIKeyGTEIIIMXESSZMD-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.80
Rot. Bonds5

About 2-(aminomethyl)-3-(2-ethyl-5-methylpyrazol-3-yl)-2-methylpropanoic acid

2-(aminomethyl)-3-(2-ethyl-5-methylpyrazol-3-yl)-2-methylpropanoic acid (PubChem CID 106487287) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-(aminomethyl)-3-(2-ethyl-5-methylpyrazol-3-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(aminomethyl)-3-(2-ethyl-5-methylpyrazol-3-yl)-2-methylpropanoic acid
PubChem CID106487287
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name2-(aminomethyl)-3-(2-ethyl-5-methylpyrazol-3-yl)-2-methylpropanoic acid
SMILESCCn1nc(C)cc1CC(C)(CN)C(=O)O
InChIInChI=1S/C11H19N3O2/c1-4-14-9(5-8(2)13-14)6-11(3,7-12)10(15)16/h5H,4,6-7,12H2,1-3H3,(H,15,16)
InChIKeyGTEIIIMXESSZMD-UHFFFAOYSA-N
XLogP0.80
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-3-(2,5-dimethylpyrazol-3-yl)-2-methylpropanoic acid
CID 106487225
2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-2,3-dimethylbutanoic acid
CID 83149292
3-amino-1-(2-ethyl-5-methylpyrazol-3-yl)-3-methylbutan-2-one
CID 116560245
4-amino-1-(2-ethyl-5-methylpyrazol-3-yl)butan-2-one
CID 116550798
1-(2-ethyl-5-methylpyrazol-3-yl)-3,3-dimethylpentan-2-one
CID 115779757
methyl 2-(aminomethyl)-2-(cyclopropylmethyl)-3-(2-ethyl-5-methylpyrazol-3-yl)propanoate
CID 106490015
2-(aminomethyl)-3-(2-ethyl-5-methylpyrazol-3-yl)-2-(2-methylphenyl)propan-1-ol
CID 106506152
3-amino-2-[(1,3-diethylpyrazol-5-yl)methyl]-2-methyl-3-oxopropanoic acid
CID 114899899
3-(2-ethyl-5-methylpyrazol-3-yl)-1,1-dimethoxy-2-methylpropan-2-ol
CID 66036946
5-[2-(chloromethyl)-2-ethylbutyl]-1-ethyl-3-methylpyrazole
CID 66035159
1-[(2-ethyl-5-methylpyrazol-3-yl)methylsulfanyl]-2-methylpropan-2-amine
CID 66224006
5-(chloromethyl)-1-ethyl-3-methylpyrazole
CID 50896690

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-(2-ethyl-5-methylpyrazol-3-yl)-2-methylpropanoic acid?
The IUPAC name of 2-(aminomethyl)-3-(2-ethyl-5-methylpyrazol-3-yl)-2-methylpropanoic acid (CID 106487287) is 2-(aminomethyl)-3-(2-ethyl-5-methylpyrazol-3-yl)-2-methylpropanoic acid.
What is the SMILES notation for 2-(aminomethyl)-3-(2-ethyl-5-methylpyrazol-3-yl)-2-methylpropanoic acid?
The canonical SMILES for 2-(aminomethyl)-3-(2-ethyl-5-methylpyrazol-3-yl)-2-methylpropanoic acid is CCn1nc(C)cc1CC(C)(CN)C(=O)O.
What is the InChIKey of 2-(aminomethyl)-3-(2-ethyl-5-methylpyrazol-3-yl)-2-methylpropanoic acid?
The InChIKey is GTEIIIMXESSZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-4-14-9(5-8(2)13-14)6-11(3,7-12)10(15)16/h5H,4,6-7,12H2,1-3H3,(H,15,16).
What are the key properties of 2-(aminomethyl)-3-(2-ethyl-5-methylpyrazol-3-yl)-2-methylpropanoic acid?
2-(aminomethyl)-3-(2-ethyl-5-methylpyrazol-3-yl)-2-methylpropanoic acid has a molecular weight of 225.29 g/mol, XLogP of 0.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-(2-ethyl-5-methylpyrazol-3-yl)-2-methylpropanoic acid is sourced from PubChem (CID 106487287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).