2-[(5-tert-butyl-1H-pyrazole-3-carbonyl)-(2-methoxyethyl)amino]acetic acid

C13H21N3O4 — CID 119189651

IUPAC2-[(5-tert-butyl-1H-pyrazole-3-carbonyl)-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)c1cc(C(C)(C)C)[nH]n1
InChIInChI=1S/C13H21N3O4/c1-13(2,3)10-7-9(14-15-10)12(19)16(5-6-20-4)8-11(17)18/h7H,5-6,8H2,1-4H3,(H,14,15)(H,17,18)
InChIKeyGOWXEWZRSJMODO-UHFFFAOYSA-N
MW283.33 g/mol
LogP0.88
Rot. Bonds6

About 2-[(5-tert-butyl-1H-pyrazole-3-carbonyl)-(2-methoxyethyl)amino]acetic acid

2-[(5-tert-butyl-1H-pyrazole-3-carbonyl)-(2-methoxyethyl)amino]acetic acid (PubChem CID 119189651) has the molecular formula C13H21N3O4 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-[(5-tert-butyl-1H-pyrazole-3-carbonyl)-(2-methoxyethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(5-tert-butyl-1H-pyrazole-3-carbonyl)-(2-methoxyethyl)amino]acetic acid
PubChem CID119189651
Molecular FormulaC13H21N3O4
Molecular Weight283.33 g/mol
Exact Mass283.15
IUPAC Name2-[(5-tert-butyl-1H-pyrazole-3-carbonyl)-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)c1cc(C(C)(C)C)[nH]n1
InChIInChI=1S/C13H21N3O4/c1-13(2,3)10-7-9(14-15-10)12(19)16(5-6-20-4)8-11(17)18/h7H,5-6,8H2,1-4H3,(H,14,15)(H,17,18)
InChIKeyGOWXEWZRSJMODO-UHFFFAOYSA-N
XLogP0.88
TPSA95.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(5-tert-butyl-1H-pyrazole-3-carbonyl)-(2-methylpropyl)amino]propanoic acid
CID 119190641
2-[(5-tert-butyl-1H-pyrazole-3-carbonyl)amino]acetic acid
CID 110835219
2-[2-methoxyethyl-(2-propan-2-yl-1,3-thiazole-4-carbonyl)amino]acetic acid
CID 119189301
2-[2-methoxyethyl-(4-methyl-1H-pyrrole-3-carbonyl)amino]acetic acid
CID 119189517
2-[2-methoxyethyl(1,3-thiazole-4-carbonyl)amino]acetic acid
CID 63023024
2-[2-methoxyethyl-(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]acetic acid
CID 119189710
2-[(4,5-dimethylthiophene-2-carbonyl)-(2-methoxyethyl)amino]acetic acid
CID 54969489
N-(3-aminopropyl)-N-benzyl-5-tert-butyl-1H-pyrazole-3-carboxamide
CID 120648409
5-tert-butyl-N-prop-2-enyl-1H-pyrazole-3-carboxamide
CID 110848079
2-[(4,5-dibromothiophene-2-carbonyl)-(2-methoxyethyl)amino]acetic acid
CID 54969488
2-[(4-acetylbenzoyl)-(2-methoxyethyl)amino]acetic acid
CID 119188945
2-[2-methoxyethyl-(4-methylbenzoyl)amino]acetic acid
CID 54969089

Frequently Asked Questions

What is the IUPAC name of 2-[(5-tert-butyl-1H-pyrazole-3-carbonyl)-(2-methoxyethyl)amino]acetic acid?
The IUPAC name of 2-[(5-tert-butyl-1H-pyrazole-3-carbonyl)-(2-methoxyethyl)amino]acetic acid (CID 119189651) is 2-[(5-tert-butyl-1H-pyrazole-3-carbonyl)-(2-methoxyethyl)amino]acetic acid.
What is the SMILES notation for 2-[(5-tert-butyl-1H-pyrazole-3-carbonyl)-(2-methoxyethyl)amino]acetic acid?
The canonical SMILES for 2-[(5-tert-butyl-1H-pyrazole-3-carbonyl)-(2-methoxyethyl)amino]acetic acid is COCCN(CC(=O)O)C(=O)c1cc(C(C)(C)C)[nH]n1.
What is the InChIKey of 2-[(5-tert-butyl-1H-pyrazole-3-carbonyl)-(2-methoxyethyl)amino]acetic acid?
The InChIKey is GOWXEWZRSJMODO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4/c1-13(2,3)10-7-9(14-15-10)12(19)16(5-6-20-4)8-11(17)18/h7H,5-6,8H2,1-4H3,(H,14,15)(H,17,18).
What are the key properties of 2-[(5-tert-butyl-1H-pyrazole-3-carbonyl)-(2-methoxyethyl)amino]acetic acid?
2-[(5-tert-butyl-1H-pyrazole-3-carbonyl)-(2-methoxyethyl)amino]acetic acid has a molecular weight of 283.33 g/mol, XLogP of 0.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-tert-butyl-1H-pyrazole-3-carbonyl)-(2-methoxyethyl)amino]acetic acid is sourced from PubChem (CID 119189651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).