2-[tert-butyl-(1-methylpyrazole-4-carbonyl)amino]acetic acid

C11H17N3O3 — CID 79266390

IUPAC2-[tert-butyl-(1-methylpyrazole-4-carbonyl)amino]acetic acid
SMILESCn1cc(C(=O)N(CC(=O)O)C(C)(C)C)cn1
InChIInChI=1S/C11H17N3O3/c1-11(2,3)14(7-9(15)16)10(17)8-5-12-13(4)6-8/h5-6H,7H2,1-4H3,(H,15,16)
InChIKeyJXVUZZFQEQRWEI-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.75
Rot. Bonds3

About 2-[tert-butyl-(1-methylpyrazole-4-carbonyl)amino]acetic acid

2-[tert-butyl-(1-methylpyrazole-4-carbonyl)amino]acetic acid (PubChem CID 79266390) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-[tert-butyl-(1-methylpyrazole-4-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[tert-butyl-(1-methylpyrazole-4-carbonyl)amino]acetic acid
PubChem CID79266390
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name2-[tert-butyl-(1-methylpyrazole-4-carbonyl)amino]acetic acid
SMILESCn1cc(C(=O)N(CC(=O)O)C(C)(C)C)cn1
InChIInChI=1S/C11H17N3O3/c1-11(2,3)14(7-9(15)16)10(17)8-5-12-13(4)6-8/h5-6H,7H2,1-4H3,(H,15,16)
InChIKeyJXVUZZFQEQRWEI-UHFFFAOYSA-N
XLogP0.75
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopentyl-(1-methylpyrazole-4-carbonyl)amino]acetic acid
CID 54926515
2-[tert-butyl-[(1-methylpyrazol-4-yl)carbamoyl]amino]acetic acid
CID 79256591
2-[(1-methylpyrazole-4-carbonyl)-prop-2-enylamino]acetic acid
CID 79264280
N-ethyl-1-methyl-N-(2-methyl-4-oxobutan-2-yl)pyrazole-4-carboxamide
CID 178086179
3-[methyl-(1-methylpyrazole-4-carbonyl)amino]propanoic acid
CID 60989525
3-[ethyl-(1-methylpyrazole-4-carbonyl)amino]propanoic acid
CID 61008278
2-[(1-tert-butylpyrazole-4-carbonyl)-cyclopropylamino]acetic acid
CID 119194565
N-ethyl-N,1-dimethylpyrazole-4-carboxamide;hydrochloride
CID 130678775
2-[tert-butyl-(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]acetic acid
CID 79265302
N,1-dimethyl-N-propan-2-ylpyrazole-4-carboxamide
CID 131067296
2-[methyl-(1-methylpyrazol-4-yl)amino]acetic acid
CID 82538136
2-[tert-butyl-(4-propan-2-ylbenzoyl)amino]acetic acid
CID 79266009

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl-(1-methylpyrazole-4-carbonyl)amino]acetic acid?
The IUPAC name of 2-[tert-butyl-(1-methylpyrazole-4-carbonyl)amino]acetic acid (CID 79266390) is 2-[tert-butyl-(1-methylpyrazole-4-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[tert-butyl-(1-methylpyrazole-4-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[tert-butyl-(1-methylpyrazole-4-carbonyl)amino]acetic acid is Cn1cc(C(=O)N(CC(=O)O)C(C)(C)C)cn1.
What is the InChIKey of 2-[tert-butyl-(1-methylpyrazole-4-carbonyl)amino]acetic acid?
The InChIKey is JXVUZZFQEQRWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-11(2,3)14(7-9(15)16)10(17)8-5-12-13(4)6-8/h5-6H,7H2,1-4H3,(H,15,16).
What are the key properties of 2-[tert-butyl-(1-methylpyrazole-4-carbonyl)amino]acetic acid?
2-[tert-butyl-(1-methylpyrazole-4-carbonyl)amino]acetic acid has a molecular weight of 239.27 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl-(1-methylpyrazole-4-carbonyl)amino]acetic acid is sourced from PubChem (CID 79266390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).