4-[methyl-[2-(1,3,5-trimethylpyrazol-4-yl)oxyacetyl]amino]butanoic acid

C13H21N3O4 — CID 119347085

IUPAC4-[methyl-[2-(1,3,5-trimethylpyrazol-4-yl)oxyacetyl]amino]butanoic acid
SMILESCc1nn(C)c(C)c1OCC(=O)N(C)CCCC(=O)O
InChIInChI=1S/C13H21N3O4/c1-9-13(10(2)16(4)14-9)20-8-11(17)15(3)7-5-6-12(18)19/h5-8H2,1-4H3,(H,18,19)
InChIKeyPRYHPDDUWGEMNZ-UHFFFAOYSA-N
MW283.33 g/mol
LogP0.74
Rot. Bonds7

About 4-[methyl-[2-(1,3,5-trimethylpyrazol-4-yl)oxyacetyl]amino]butanoic acid

4-[methyl-[2-(1,3,5-trimethylpyrazol-4-yl)oxyacetyl]amino]butanoic acid (PubChem CID 119347085) has the molecular formula C13H21N3O4 and a molecular weight of 283.33 g/mol. Its IUPAC name is 4-[methyl-[2-(1,3,5-trimethylpyrazol-4-yl)oxyacetyl]amino]butanoic acid.

Molecular Properties

Compound Name4-[methyl-[2-(1,3,5-trimethylpyrazol-4-yl)oxyacetyl]amino]butanoic acid
PubChem CID119347085
Molecular FormulaC13H21N3O4
Molecular Weight283.33 g/mol
Exact Mass283.15
IUPAC Name4-[methyl-[2-(1,3,5-trimethylpyrazol-4-yl)oxyacetyl]amino]butanoic acid
SMILESCc1nn(C)c(C)c1OCC(=O)N(C)CCCC(=O)O
InChIInChI=1S/C13H21N3O4/c1-9-13(10(2)16(4)14-9)20-8-11(17)15(3)7-5-6-12(18)19/h5-8H2,1-4H3,(H,18,19)
InChIKeyPRYHPDDUWGEMNZ-UHFFFAOYSA-N
XLogP0.74
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 ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[methyl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]butanoic acid
CID 43151815
N-methyl-N-[(3R)-pyrrolidin-3-yl]-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide
CID 124613834
4-[methyl-[2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]butanoic acid
CID 119173238
4-[[2-(2-ethoxyphenoxy)acetyl]-methylamino]butanoic acid
CID 43092346
4-[[2-(2-methoxyphenoxy)acetyl]-methylamino]butanoic acid
CID 43240316
4-[methyl-[2-(3-methylphenoxy)acetyl]amino]butanoic acid
CID 43240315
N-(2-aminoethyl)-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide;hydrochloride
CID 119384708
N-[cyclopropyl-(4-fluorophenyl)methyl]-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide
CID 71970935
4-[[2-(2-fluorophenoxy)acetyl]-methylamino]butanoic acid
CID 43092345
3-[(3S)-1-[2-(1,3,5-trimethylpyrazol-4-yl)oxyacetyl]piperidin-3-yl]propanoic acid
CID 124697024
N-[3-(methylamino)propyl]-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide;hydrochloride
CID 119433105
2-(1,3,5-trimethylpyrazol-4-yl)oxy-N-(3,4,5-trimethylthiophen-2-yl)acetamide
CID 71971323

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[2-(1,3,5-trimethylpyrazol-4-yl)oxyacetyl]amino]butanoic acid?
The IUPAC name of 4-[methyl-[2-(1,3,5-trimethylpyrazol-4-yl)oxyacetyl]amino]butanoic acid (CID 119347085) is 4-[methyl-[2-(1,3,5-trimethylpyrazol-4-yl)oxyacetyl]amino]butanoic acid.
What is the SMILES notation for 4-[methyl-[2-(1,3,5-trimethylpyrazol-4-yl)oxyacetyl]amino]butanoic acid?
The canonical SMILES for 4-[methyl-[2-(1,3,5-trimethylpyrazol-4-yl)oxyacetyl]amino]butanoic acid is Cc1nn(C)c(C)c1OCC(=O)N(C)CCCC(=O)O.
What is the InChIKey of 4-[methyl-[2-(1,3,5-trimethylpyrazol-4-yl)oxyacetyl]amino]butanoic acid?
The InChIKey is PRYHPDDUWGEMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4/c1-9-13(10(2)16(4)14-9)20-8-11(17)15(3)7-5-6-12(18)19/h5-8H2,1-4H3,(H,18,19).
What are the key properties of 4-[methyl-[2-(1,3,5-trimethylpyrazol-4-yl)oxyacetyl]amino]butanoic acid?
4-[methyl-[2-(1,3,5-trimethylpyrazol-4-yl)oxyacetyl]amino]butanoic acid has a molecular weight of 283.33 g/mol, XLogP of 0.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[2-(1,3,5-trimethylpyrazol-4-yl)oxyacetyl]amino]butanoic acid is sourced from PubChem (CID 119347085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).