3-cyclopropyl-2-[(1-ethyl-3-methylpyrazole-4-carbonyl)amino]propanoic acid

C13H19N3O3 — CID 136556314

IUPAC3-cyclopropyl-2-[(1-ethyl-3-methylpyrazole-4-carbonyl)amino]propanoic acid
SMILESCCn1cc(C(=O)NC(CC2CC2)C(=O)O)c(C)n1
InChIInChI=1S/C13H19N3O3/c1-3-16-7-10(8(2)15-16)12(17)14-11(13(18)19)6-9-4-5-9/h7,9,11H,3-6H2,1-2H3,(H,14,17)(H,18,19)
InChIKeyNGYBBDDYCXQOFK-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.19
Rot. Bonds6

About 3-cyclopropyl-2-[(1-ethyl-3-methylpyrazole-4-carbonyl)amino]propanoic acid

3-cyclopropyl-2-[(1-ethyl-3-methylpyrazole-4-carbonyl)amino]propanoic acid (PubChem CID 136556314) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-cyclopropyl-2-[(1-ethyl-3-methylpyrazole-4-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-cyclopropyl-2-[(1-ethyl-3-methylpyrazole-4-carbonyl)amino]propanoic acid
PubChem CID136556314
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name3-cyclopropyl-2-[(1-ethyl-3-methylpyrazole-4-carbonyl)amino]propanoic acid
SMILESCCn1cc(C(=O)NC(CC2CC2)C(=O)O)c(C)n1
InChIInChI=1S/C13H19N3O3/c1-3-16-7-10(8(2)15-16)12(17)14-11(13(18)19)6-9-4-5-9/h7,9,11H,3-6H2,1-2H3,(H,14,17)(H,18,19)
InChIKeyNGYBBDDYCXQOFK-UHFFFAOYSA-N
XLogP1.19
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-2-[(1-ethyl-3-methylpyrazole-4-carbonyl)amino]propanoic acid?
The IUPAC name of 3-cyclopropyl-2-[(1-ethyl-3-methylpyrazole-4-carbonyl)amino]propanoic acid (CID 136556314) is 3-cyclopropyl-2-[(1-ethyl-3-methylpyrazole-4-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-cyclopropyl-2-[(1-ethyl-3-methylpyrazole-4-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-cyclopropyl-2-[(1-ethyl-3-methylpyrazole-4-carbonyl)amino]propanoic acid is CCn1cc(C(=O)NC(CC2CC2)C(=O)O)c(C)n1.
What is the InChIKey of 3-cyclopropyl-2-[(1-ethyl-3-methylpyrazole-4-carbonyl)amino]propanoic acid?
The InChIKey is NGYBBDDYCXQOFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-3-16-7-10(8(2)15-16)12(17)14-11(13(18)19)6-9-4-5-9/h7,9,11H,3-6H2,1-2H3,(H,14,17)(H,18,19).
What are the key properties of 3-cyclopropyl-2-[(1-ethyl-3-methylpyrazole-4-carbonyl)amino]propanoic acid?
3-cyclopropyl-2-[(1-ethyl-3-methylpyrazole-4-carbonyl)amino]propanoic acid has a molecular weight of 265.31 g/mol, XLogP of 1.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-2-[(1-ethyl-3-methylpyrazole-4-carbonyl)amino]propanoic acid is sourced from PubChem (CID 136556314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).