2-[tert-butyl(1H-pyrazol-4-ylmethylcarbamoyl)amino]acetic acid

C11H18N4O3 — CID 79257175

IUPAC2-[tert-butyl(1H-pyrazol-4-ylmethylcarbamoyl)amino]acetic acid
SMILESCC(C)(C)N(CC(=O)O)C(=O)NCc1cn[nH]c1
InChIInChI=1S/C11H18N4O3/c1-11(2,3)15(7-9(16)17)10(18)12-4-8-5-13-14-6-8/h5-6H,4,7H2,1-3H3,(H,12,18)(H,13,14)(H,16,17)
InChIKeyPADDEAUAMDDPTB-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.80
Rot. Bonds4

About 2-[tert-butyl(1H-pyrazol-4-ylmethylcarbamoyl)amino]acetic acid

2-[tert-butyl(1H-pyrazol-4-ylmethylcarbamoyl)amino]acetic acid (PubChem CID 79257175) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-[tert-butyl(1H-pyrazol-4-ylmethylcarbamoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[tert-butyl(1H-pyrazol-4-ylmethylcarbamoyl)amino]acetic acid
PubChem CID79257175
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name2-[tert-butyl(1H-pyrazol-4-ylmethylcarbamoyl)amino]acetic acid
SMILESCC(C)(C)N(CC(=O)O)C(=O)NCc1cn[nH]c1
InChIInChI=1S/C11H18N4O3/c1-11(2,3)15(7-9(16)17)10(18)12-4-8-5-13-14-6-8/h5-6H,4,7H2,1-3H3,(H,12,18)(H,13,14)(H,16,17)
InChIKeyPADDEAUAMDDPTB-UHFFFAOYSA-N
XLogP0.80
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
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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Related Compounds

2,2-dimethyl-N-(1H-pyrazol-4-ylmethyl)butanamide
CID 62677107
2-[tert-butyl(pyridin-2-ylmethylcarbamoyl)amino]acetic acid
CID 79256586
2-methyl-N-(1H-pyrazol-4-ylmethyl)propanamide
CID 60735981
2-methyl-N-(1H-pyrazol-4-ylmethyl)cyclopropane-1-carboxamide
CID 60736218
2-[(2-bromophenyl)methylcarbamoyl-tert-butylamino]acetic acid
CID 79257084
N-(1H-pyrazol-4-ylmethyl)but-2-enamide
CID 76864423
2-[tert-butyl-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]amino]acetic acid
CID 114168140
2,2-difluoro-N-(1H-pyrazol-4-ylmethyl)acetamide
CID 103514032
2,2-dimethyl-N-[4-oxo-4-(1H-pyrazol-4-ylmethylamino)butyl]propanamide
CID 54897263
2-[tert-butyl(cyclobutylmethylcarbamoyl)amino]acetic acid
CID 79257496
3-methyl-2-(1H-pyrazol-4-ylmethylcarbamoylamino)butanoic acid
CID 54982274
4-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 60736168

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(1H-pyrazol-4-ylmethylcarbamoyl)amino]acetic acid?
The IUPAC name of 2-[tert-butyl(1H-pyrazol-4-ylmethylcarbamoyl)amino]acetic acid (CID 79257175) is 2-[tert-butyl(1H-pyrazol-4-ylmethylcarbamoyl)amino]acetic acid.
What is the SMILES notation for 2-[tert-butyl(1H-pyrazol-4-ylmethylcarbamoyl)amino]acetic acid?
The canonical SMILES for 2-[tert-butyl(1H-pyrazol-4-ylmethylcarbamoyl)amino]acetic acid is CC(C)(C)N(CC(=O)O)C(=O)NCc1cn[nH]c1.
What is the InChIKey of 2-[tert-butyl(1H-pyrazol-4-ylmethylcarbamoyl)amino]acetic acid?
The InChIKey is PADDEAUAMDDPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-11(2,3)15(7-9(16)17)10(18)12-4-8-5-13-14-6-8/h5-6H,4,7H2,1-3H3,(H,12,18)(H,13,14)(H,16,17).
What are the key properties of 2-[tert-butyl(1H-pyrazol-4-ylmethylcarbamoyl)amino]acetic acid?
2-[tert-butyl(1H-pyrazol-4-ylmethylcarbamoyl)amino]acetic acid has a molecular weight of 254.29 g/mol, XLogP of 0.80, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(1H-pyrazol-4-ylmethylcarbamoyl)amino]acetic acid is sourced from PubChem (CID 79257175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).