3-[(4R)-4-amino-4,5,6,7-tetrahydroindazol-1-yl]propanoic acid

C10H15N3O2 — CID 66782204

IUPAC3-[(4R)-4-amino-4,5,6,7-tetrahydroindazol-1-yl]propanoic acid
SMILESN[C@@H]1CCCc2c1cnn2CCC(=O)O
InChIInChI=1S/C10H15N3O2/c11-8-2-1-3-9-7(8)6-12-13(9)5-4-10(14)15/h6,8H,1-5,11H2,(H,14,15)/t8-/m1/s1
InChIKeyQDQGLKKVMZPDOE-MRVPVSSYSA-N
MW209.25 g/mol
LogP0.69
Rot. Bonds3

About 3-[(4R)-4-amino-4,5,6,7-tetrahydroindazol-1-yl]propanoic acid

3-[(4R)-4-amino-4,5,6,7-tetrahydroindazol-1-yl]propanoic acid (PubChem CID 66782204) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 3-[(4R)-4-amino-4,5,6,7-tetrahydroindazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[(4R)-4-amino-4,5,6,7-tetrahydroindazol-1-yl]propanoic acid
PubChem CID66782204
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name3-[(4R)-4-amino-4,5,6,7-tetrahydroindazol-1-yl]propanoic acid
SMILESN[C@@H]1CCCc2c1cnn2CCC(=O)O
InChIInChI=1S/C10H15N3O2/c11-8-2-1-3-9-7(8)6-12-13(9)5-4-10(14)15/h6,8H,1-5,11H2,(H,14,15)/t8-/m1/s1
InChIKeyQDQGLKKVMZPDOE-MRVPVSSYSA-N
XLogP0.69
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4R)-4-amino-4,5,6,7-tetrahydroindazol-1-yl]propanoic acid?
The IUPAC name of 3-[(4R)-4-amino-4,5,6,7-tetrahydroindazol-1-yl]propanoic acid (CID 66782204) is 3-[(4R)-4-amino-4,5,6,7-tetrahydroindazol-1-yl]propanoic acid.
What is the SMILES notation for 3-[(4R)-4-amino-4,5,6,7-tetrahydroindazol-1-yl]propanoic acid?
The canonical SMILES for 3-[(4R)-4-amino-4,5,6,7-tetrahydroindazol-1-yl]propanoic acid is N[C@@H]1CCCc2c1cnn2CCC(=O)O.
What is the InChIKey of 3-[(4R)-4-amino-4,5,6,7-tetrahydroindazol-1-yl]propanoic acid?
The InChIKey is QDQGLKKVMZPDOE-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H15N3O2/c11-8-2-1-3-9-7(8)6-12-13(9)5-4-10(14)15/h6,8H,1-5,11H2,(H,14,15)/t8-/m1/s1.
What are the key properties of 3-[(4R)-4-amino-4,5,6,7-tetrahydroindazol-1-yl]propanoic acid?
3-[(4R)-4-amino-4,5,6,7-tetrahydroindazol-1-yl]propanoic acid has a molecular weight of 209.25 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4R)-4-amino-4,5,6,7-tetrahydroindazol-1-yl]propanoic acid is sourced from PubChem (CID 66782204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).