2-methyl-2-[3-(2-methylpyrazol-3-yl)propanoylamino]pentanoic acid

C13H21N3O3 — CID 120517076

IUPAC2-methyl-2-[3-(2-methylpyrazol-3-yl)propanoylamino]pentanoic acid
SMILESCCCC(C)(NC(=O)CCc1ccnn1C)C(=O)O
InChIInChI=1S/C13H21N3O3/c1-4-8-13(2,12(18)19)15-11(17)6-5-10-7-9-14-16(10)3/h7,9H,4-6,8H2,1-3H3,(H,15,17)(H,18,19)
InChIKeyDYJBXMTYPYVJPE-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.11
Rot. Bonds7

About 2-methyl-2-[3-(2-methylpyrazol-3-yl)propanoylamino]pentanoic acid

2-methyl-2-[3-(2-methylpyrazol-3-yl)propanoylamino]pentanoic acid (PubChem CID 120517076) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-methyl-2-[3-(2-methylpyrazol-3-yl)propanoylamino]pentanoic acid.

Molecular Properties

Compound Name2-methyl-2-[3-(2-methylpyrazol-3-yl)propanoylamino]pentanoic acid
PubChem CID120517076
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name2-methyl-2-[3-(2-methylpyrazol-3-yl)propanoylamino]pentanoic acid
SMILESCCCC(C)(NC(=O)CCc1ccnn1C)C(=O)O
InChIInChI=1S/C13H21N3O3/c1-4-8-13(2,12(18)19)15-11(17)6-5-10-7-9-14-16(10)3/h7,9H,4-6,8H2,1-3H3,(H,15,17)(H,18,19)
InChIKeyDYJBXMTYPYVJPE-UHFFFAOYSA-N
XLogP1.11
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.11
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-(2-methylpyrazol-3-yl)propanoylamino]pentanoic acid?
The IUPAC name of 2-methyl-2-[3-(2-methylpyrazol-3-yl)propanoylamino]pentanoic acid (CID 120517076) is 2-methyl-2-[3-(2-methylpyrazol-3-yl)propanoylamino]pentanoic acid.
What is the SMILES notation for 2-methyl-2-[3-(2-methylpyrazol-3-yl)propanoylamino]pentanoic acid?
The canonical SMILES for 2-methyl-2-[3-(2-methylpyrazol-3-yl)propanoylamino]pentanoic acid is CCCC(C)(NC(=O)CCc1ccnn1C)C(=O)O.
What is the InChIKey of 2-methyl-2-[3-(2-methylpyrazol-3-yl)propanoylamino]pentanoic acid?
The InChIKey is DYJBXMTYPYVJPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-4-8-13(2,12(18)19)15-11(17)6-5-10-7-9-14-16(10)3/h7,9H,4-6,8H2,1-3H3,(H,15,17)(H,18,19).
What are the key properties of 2-methyl-2-[3-(2-methylpyrazol-3-yl)propanoylamino]pentanoic acid?
2-methyl-2-[3-(2-methylpyrazol-3-yl)propanoylamino]pentanoic acid has a molecular weight of 267.33 g/mol, XLogP of 1.11, 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-(2-methylpyrazol-3-yl)propanoylamino]pentanoic acid is sourced from PubChem (CID 120517076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).