2-[ethyl(1H-pyrazol-4-ylmethylcarbamoyl)amino]-2-methylpropanoic acid

C11H18N4O3 — CID 55123998

IUPAC2-[ethyl(1H-pyrazol-4-ylmethylcarbamoyl)amino]-2-methylpropanoic acid
SMILESCCN(C(=O)NCc1cn[nH]c1)C(C)(C)C(=O)O
InChIInChI=1S/C11H18N4O3/c1-4-15(11(2,3)9(16)17)10(18)12-5-8-6-13-14-7-8/h6-7H,4-5H2,1-3H3,(H,12,18)(H,13,14)(H,16,17)
InChIKeyNEDWXWVGXSFNHZ-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.80
Rot. Bonds5

About 2-[ethyl(1H-pyrazol-4-ylmethylcarbamoyl)amino]-2-methylpropanoic acid

2-[ethyl(1H-pyrazol-4-ylmethylcarbamoyl)amino]-2-methylpropanoic acid (PubChem CID 55123998) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-[ethyl(1H-pyrazol-4-ylmethylcarbamoyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[ethyl(1H-pyrazol-4-ylmethylcarbamoyl)amino]-2-methylpropanoic acid
PubChem CID55123998
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name2-[ethyl(1H-pyrazol-4-ylmethylcarbamoyl)amino]-2-methylpropanoic acid
SMILESCCN(C(=O)NCc1cn[nH]c1)C(C)(C)C(=O)O
InChIInChI=1S/C11H18N4O3/c1-4-15(11(2,3)9(16)17)10(18)12-5-8-6-13-14-7-8/h6-7H,4-5H2,1-3H3,(H,12,18)(H,13,14)(H,16,17)
InChIKeyNEDWXWVGXSFNHZ-UHFFFAOYSA-N
XLogP0.80
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(1H-pyrazol-4-ylmethylcarbamoyl)amino]-2-methylpropanoic acid?
The IUPAC name of 2-[ethyl(1H-pyrazol-4-ylmethylcarbamoyl)amino]-2-methylpropanoic acid (CID 55123998) is 2-[ethyl(1H-pyrazol-4-ylmethylcarbamoyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[ethyl(1H-pyrazol-4-ylmethylcarbamoyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[ethyl(1H-pyrazol-4-ylmethylcarbamoyl)amino]-2-methylpropanoic acid is CCN(C(=O)NCc1cn[nH]c1)C(C)(C)C(=O)O.
What is the InChIKey of 2-[ethyl(1H-pyrazol-4-ylmethylcarbamoyl)amino]-2-methylpropanoic acid?
The InChIKey is NEDWXWVGXSFNHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-4-15(11(2,3)9(16)17)10(18)12-5-8-6-13-14-7-8/h6-7H,4-5H2,1-3H3,(H,12,18)(H,13,14)(H,16,17).
What are the key properties of 2-[ethyl(1H-pyrazol-4-ylmethylcarbamoyl)amino]-2-methylpropanoic acid?
2-[ethyl(1H-pyrazol-4-ylmethylcarbamoyl)amino]-2-methylpropanoic acid has a molecular weight of 254.29 g/mol, XLogP of 0.80, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(1H-pyrazol-4-ylmethylcarbamoyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 55123998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).