2-[ethyl-[1-(2-methylpyrazol-3-yl)ethyl]amino]-2-methylpropanoic acid

C12H21N3O2 — CID 106758947

IUPAC2-[ethyl-[1-(2-methylpyrazol-3-yl)ethyl]amino]-2-methylpropanoic acid
SMILESCCN(C(C)c1ccnn1C)C(C)(C)C(=O)O
InChIInChI=1S/C12H21N3O2/c1-6-15(12(3,4)11(16)17)9(2)10-7-8-13-14(10)5/h7-9H,6H2,1-5H3,(H,16,17)
InChIKeyNUYXZQKJSIVWPG-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.67
Rot. Bonds5

About 2-[ethyl-[1-(2-methylpyrazol-3-yl)ethyl]amino]-2-methylpropanoic acid

2-[ethyl-[1-(2-methylpyrazol-3-yl)ethyl]amino]-2-methylpropanoic acid (PubChem CID 106758947) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-[ethyl-[1-(2-methylpyrazol-3-yl)ethyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[ethyl-[1-(2-methylpyrazol-3-yl)ethyl]amino]-2-methylpropanoic acid
PubChem CID106758947
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name2-[ethyl-[1-(2-methylpyrazol-3-yl)ethyl]amino]-2-methylpropanoic acid
SMILESCCN(C(C)c1ccnn1C)C(C)(C)C(=O)O
InChIInChI=1S/C12H21N3O2/c1-6-15(12(3,4)11(16)17)9(2)10-7-8-13-14(10)5/h7-9H,6H2,1-5H3,(H,16,17)
InChIKeyNUYXZQKJSIVWPG-UHFFFAOYSA-N
XLogP1.67
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[1-(2-methylpyrazol-3-yl)ethyl]amino]-2-methylpropanoic acid?
The IUPAC name of 2-[ethyl-[1-(2-methylpyrazol-3-yl)ethyl]amino]-2-methylpropanoic acid (CID 106758947) is 2-[ethyl-[1-(2-methylpyrazol-3-yl)ethyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[ethyl-[1-(2-methylpyrazol-3-yl)ethyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[ethyl-[1-(2-methylpyrazol-3-yl)ethyl]amino]-2-methylpropanoic acid is CCN(C(C)c1ccnn1C)C(C)(C)C(=O)O.
What is the InChIKey of 2-[ethyl-[1-(2-methylpyrazol-3-yl)ethyl]amino]-2-methylpropanoic acid?
The InChIKey is NUYXZQKJSIVWPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-6-15(12(3,4)11(16)17)9(2)10-7-8-13-14(10)5/h7-9H,6H2,1-5H3,(H,16,17).
What are the key properties of 2-[ethyl-[1-(2-methylpyrazol-3-yl)ethyl]amino]-2-methylpropanoic acid?
2-[ethyl-[1-(2-methylpyrazol-3-yl)ethyl]amino]-2-methylpropanoic acid has a molecular weight of 239.32 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[1-(2-methylpyrazol-3-yl)ethyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 106758947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).