2-[2-methoxyethyl-(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]acetic acid

C13H21N3O4 — CID 119189710

IUPAC2-[2-methoxyethyl-(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)c1cc(C(C)C)n(C)n1
InChIInChI=1S/C13H21N3O4/c1-9(2)11-7-10(14-15(11)3)13(19)16(5-6-20-4)8-12(17)18/h7,9H,5-6,8H2,1-4H3,(H,17,18)
InChIKeyILWPBIDXQFBIRD-UHFFFAOYSA-N
MW283.33 g/mol
LogP0.72
Rot. Bonds7

About 2-[2-methoxyethyl-(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]acetic acid

2-[2-methoxyethyl-(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]acetic acid (PubChem CID 119189710) has the molecular formula C13H21N3O4 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-[2-methoxyethyl-(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-methoxyethyl-(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]acetic acid
PubChem CID119189710
Molecular FormulaC13H21N3O4
Molecular Weight283.33 g/mol
Exact Mass283.15
IUPAC Name2-[2-methoxyethyl-(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)c1cc(C(C)C)n(C)n1
InChIInChI=1S/C13H21N3O4/c1-9(2)11-7-10(14-15(11)3)13(19)16(5-6-20-4)8-12(17)18/h7,9H,5-6,8H2,1-4H3,(H,17,18)
InChIKeyILWPBIDXQFBIRD-UHFFFAOYSA-N
XLogP0.72
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[benzyl-(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]acetic acid
CID 75513335
N-ethyl-N-[(2R)-1-methoxypropan-2-yl]-1-methyl-5-propan-2-ylpyrazole-3-carboxamide
CID 97219843
2-[(4-chlorophenyl)methyl-(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]acetic acid
CID 119193672
2-[2-methoxyethyl-(2-propan-2-yl-1,3-thiazole-4-carbonyl)amino]acetic acid
CID 119189301
2-[(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)-(2-methoxyethyl)amino]acetic acid
CID 119189738
2-[2-methoxyethyl-(5-methyl-1-propan-2-ylpyrazole-4-carbonyl)amino]acetic acid
CID 120516233
2-[(5-carbamoyl-1-phenylpyrazole-3-carbonyl)-(2-methoxyethyl)amino]acetic acid
CID 119189809
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-(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]acetic acid
CID 119189354
2-[(5-tert-butyl-1H-pyrazole-3-carbonyl)-(2-methoxyethyl)amino]acetic acid
CID 119189651
2-[[1-(3-chlorophenyl)pyrazole-3-carbonyl]-(2-methoxyethyl)amino]acetic acid
CID 119189144

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl-(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]acetic acid?
The IUPAC name of 2-[2-methoxyethyl-(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]acetic acid (CID 119189710) is 2-[2-methoxyethyl-(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[2-methoxyethyl-(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[2-methoxyethyl-(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]acetic acid is COCCN(CC(=O)O)C(=O)c1cc(C(C)C)n(C)n1.
What is the InChIKey of 2-[2-methoxyethyl-(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]acetic acid?
The InChIKey is ILWPBIDXQFBIRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4/c1-9(2)11-7-10(14-15(11)3)13(19)16(5-6-20-4)8-12(17)18/h7,9H,5-6,8H2,1-4H3,(H,17,18).
What are the key properties of 2-[2-methoxyethyl-(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]acetic acid?
2-[2-methoxyethyl-(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]acetic acid has a molecular weight of 283.33 g/mol, XLogP of 0.72, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl-(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]acetic acid is sourced from PubChem (CID 119189710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).