2-[tert-butyl-(5-methyl-1H-pyrazole-4-carbonyl)amino]acetic acid

C11H17N3O3 — CID 79266093

IUPAC2-[tert-butyl-(5-methyl-1H-pyrazole-4-carbonyl)amino]acetic acid
SMILESCc1[nH]ncc1C(=O)N(CC(=O)O)C(C)(C)C
InChIInChI=1S/C11H17N3O3/c1-7-8(5-12-13-7)10(17)14(6-9(15)16)11(2,3)4/h5H,6H2,1-4H3,(H,12,13)(H,15,16)
InChIKeyPKBOEYIZZBMIGF-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.04
Rot. Bonds3

About 2-[tert-butyl-(5-methyl-1H-pyrazole-4-carbonyl)amino]acetic acid

2-[tert-butyl-(5-methyl-1H-pyrazole-4-carbonyl)amino]acetic acid (PubChem CID 79266093) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-[tert-butyl-(5-methyl-1H-pyrazole-4-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[tert-butyl-(5-methyl-1H-pyrazole-4-carbonyl)amino]acetic acid
PubChem CID79266093
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name2-[tert-butyl-(5-methyl-1H-pyrazole-4-carbonyl)amino]acetic acid
SMILESCc1[nH]ncc1C(=O)N(CC(=O)O)C(C)(C)C
InChIInChI=1S/C11H17N3O3/c1-7-8(5-12-13-7)10(17)14(6-9(15)16)11(2,3)4/h5H,6H2,1-4H3,(H,12,13)(H,15,16)
InChIKeyPKBOEYIZZBMIGF-UHFFFAOYSA-N
XLogP1.04
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl-(5-methyl-1H-pyrazole-4-carbonyl)amino]acetic acid?
The IUPAC name of 2-[tert-butyl-(5-methyl-1H-pyrazole-4-carbonyl)amino]acetic acid (CID 79266093) is 2-[tert-butyl-(5-methyl-1H-pyrazole-4-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[tert-butyl-(5-methyl-1H-pyrazole-4-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[tert-butyl-(5-methyl-1H-pyrazole-4-carbonyl)amino]acetic acid is Cc1[nH]ncc1C(=O)N(CC(=O)O)C(C)(C)C.
What is the InChIKey of 2-[tert-butyl-(5-methyl-1H-pyrazole-4-carbonyl)amino]acetic acid?
The InChIKey is PKBOEYIZZBMIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-7-8(5-12-13-7)10(17)14(6-9(15)16)11(2,3)4/h5H,6H2,1-4H3,(H,12,13)(H,15,16).
What are the key properties of 2-[tert-butyl-(5-methyl-1H-pyrazole-4-carbonyl)amino]acetic acid?
2-[tert-butyl-(5-methyl-1H-pyrazole-4-carbonyl)amino]acetic acid has a molecular weight of 239.27 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl-(5-methyl-1H-pyrazole-4-carbonyl)amino]acetic acid is sourced from PubChem (CID 79266093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).