2-[1-[[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]methyl]cyclobutyl]acetic acid

C15H23N3O3 — CID 81165071

IUPAC2-[1-[[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]methyl]cyclobutyl]acetic acid
SMILESCc1nn(C)c(C)c1CC(=O)NCC1(CC(=O)O)CCC1
InChIInChI=1S/C15H23N3O3/c1-10-12(11(2)18(3)17-10)7-13(19)16-9-15(5-4-6-15)8-14(20)21/h4-9H2,1-3H3,(H,16,19)(H,20,21)
InChIKeyAPQHNAUUBRNRJA-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.34
Rot. Bonds6

About 2-[1-[[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]methyl]cyclobutyl]acetic acid

2-[1-[[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]methyl]cyclobutyl]acetic acid (PubChem CID 81165071) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-[1-[[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]methyl]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]methyl]cyclobutyl]acetic acid
PubChem CID81165071
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name2-[1-[[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]methyl]cyclobutyl]acetic acid
SMILESCc1nn(C)c(C)c1CC(=O)NCC1(CC(=O)O)CCC1
InChIInChI=1S/C15H23N3O3/c1-10-12(11(2)18(3)17-10)7-13(19)16-9-15(5-4-6-15)8-14(20)21/h4-9H2,1-3H3,(H,16,19)(H,20,21)
InChIKeyAPQHNAUUBRNRJA-UHFFFAOYSA-N
XLogP1.34
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(hydroxymethyl)cyclopentyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 62519330
N-[[1-(2,6-difluorophenyl)cyclobutyl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 131963721
4-[[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]methyl]oxane-4-carboxamide
CID 56808466
[1-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]cyclopentyl]methanol
CID 115358694
N-propyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 60705335
1-[[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]methyl]cyclohexane-1-carboxylic acid
CID 120544534
2-methyl-2-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 120546386
N-ethyl-1-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]cyclohexane-1-carboxamide
CID 51090428
2-[1-[[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)amino]methyl]cyclobutyl]acetic acid
CID 81162044
3-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]butanoic acid
CID 43360913
N-(3-methylbutyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 110695387
2-[1-[[[2-(4-hydroxyphenyl)acetyl]amino]methyl]cyclobutyl]acetic acid
CID 81164329

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]methyl]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]methyl]cyclobutyl]acetic acid (CID 81165071) is 2-[1-[[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]methyl]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]methyl]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]methyl]cyclobutyl]acetic acid is Cc1nn(C)c(C)c1CC(=O)NCC1(CC(=O)O)CCC1.
What is the InChIKey of 2-[1-[[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]methyl]cyclobutyl]acetic acid?
The InChIKey is APQHNAUUBRNRJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-10-12(11(2)18(3)17-10)7-13(19)16-9-15(5-4-6-15)8-14(20)21/h4-9H2,1-3H3,(H,16,19)(H,20,21).
What are the key properties of 2-[1-[[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]methyl]cyclobutyl]acetic acid?
2-[1-[[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]methyl]cyclobutyl]acetic acid has a molecular weight of 293.37 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]methyl]cyclobutyl]acetic acid is sourced from PubChem (CID 81165071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).