2-methyl-2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]pentanoic acid

C15H25N3O3 — CID 43619012

IUPAC2-methyl-2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]pentanoic acid
SMILESCCCC(C)(NC(=O)CCc1c(C)nn(C)c1C)C(=O)O
InChIInChI=1S/C15H25N3O3/c1-6-9-15(4,14(20)21)16-13(19)8-7-12-10(2)17-18(5)11(12)3/h6-9H2,1-5H3,(H,16,19)(H,20,21)
InChIKeyIKGWCXXCXNQFDZ-UHFFFAOYSA-N
MW295.38 g/mol
LogP1.73
Rot. Bonds7

About 2-methyl-2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]pentanoic acid

2-methyl-2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]pentanoic acid (PubChem CID 43619012) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 2-methyl-2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]pentanoic acid.

Molecular Properties

Compound Name2-methyl-2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]pentanoic acid
PubChem CID43619012
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name2-methyl-2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]pentanoic acid
SMILESCCCC(C)(NC(=O)CCc1c(C)nn(C)c1C)C(=O)O
InChIInChI=1S/C15H25N3O3/c1-6-9-15(4,14(20)21)16-13(19)8-7-12-10(2)17-18(5)11(12)3/h6-9H2,1-5H3,(H,16,19)(H,20,21)
InChIKeyIKGWCXXCXNQFDZ-UHFFFAOYSA-N
XLogP1.73
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]pentanoic acid?
The IUPAC name of 2-methyl-2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]pentanoic acid (CID 43619012) is 2-methyl-2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]pentanoic acid.
What is the SMILES notation for 2-methyl-2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]pentanoic acid?
The canonical SMILES for 2-methyl-2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]pentanoic acid is CCCC(C)(NC(=O)CCc1c(C)nn(C)c1C)C(=O)O.
What is the InChIKey of 2-methyl-2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]pentanoic acid?
The InChIKey is IKGWCXXCXNQFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-6-9-15(4,14(20)21)16-13(19)8-7-12-10(2)17-18(5)11(12)3/h6-9H2,1-5H3,(H,16,19)(H,20,21).
What are the key properties of 2-methyl-2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]pentanoic acid?
2-methyl-2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]pentanoic acid has a molecular weight of 295.38 g/mol, XLogP of 1.73, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]pentanoic acid is sourced from PubChem (CID 43619012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).