3-(4-amino-3-tert-butyl-4,5,6,7-tetrahydroindazol-1-yl)propanoic acid

C14H23N3O2 — CID 82592268

IUPAC3-(4-amino-3-tert-butyl-4,5,6,7-tetrahydroindazol-1-yl)propanoic acid
SMILESCC(C)(C)c1nn(CCC(=O)O)c2c1C(N)CCC2
InChIInChI=1S/C14H23N3O2/c1-14(2,3)13-12-9(15)5-4-6-10(12)17(16-13)8-7-11(18)19/h9H,4-8,15H2,1-3H3,(H,18,19)
InChIKeyYMPYORSPEMJLMM-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.99
Rot. Bonds3

About 3-(4-amino-3-tert-butyl-4,5,6,7-tetrahydroindazol-1-yl)propanoic acid

3-(4-amino-3-tert-butyl-4,5,6,7-tetrahydroindazol-1-yl)propanoic acid (PubChem CID 82592268) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 3-(4-amino-3-tert-butyl-4,5,6,7-tetrahydroindazol-1-yl)propanoic acid.

Molecular Properties

Compound Name3-(4-amino-3-tert-butyl-4,5,6,7-tetrahydroindazol-1-yl)propanoic acid
PubChem CID82592268
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name3-(4-amino-3-tert-butyl-4,5,6,7-tetrahydroindazol-1-yl)propanoic acid
SMILESCC(C)(C)c1nn(CCC(=O)O)c2c1C(N)CCC2
InChIInChI=1S/C14H23N3O2/c1-14(2,3)13-12-9(15)5-4-6-10(12)17(16-13)8-7-11(18)19/h9H,4-8,15H2,1-3H3,(H,18,19)
InChIKeyYMPYORSPEMJLMM-UHFFFAOYSA-N
XLogP1.99
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(4-amino-3-tert-butyl-4,5,6,7-tetrahydroindazol-1-yl)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-3-tert-butyl-4,5,6,7-tetrahydroindazol-1-yl)propanoic acid?
The IUPAC name of 3-(4-amino-3-tert-butyl-4,5,6,7-tetrahydroindazol-1-yl)propanoic acid (CID 82592268) is 3-(4-amino-3-tert-butyl-4,5,6,7-tetrahydroindazol-1-yl)propanoic acid.
What is the SMILES notation for 3-(4-amino-3-tert-butyl-4,5,6,7-tetrahydroindazol-1-yl)propanoic acid?
The canonical SMILES for 3-(4-amino-3-tert-butyl-4,5,6,7-tetrahydroindazol-1-yl)propanoic acid is CC(C)(C)c1nn(CCC(=O)O)c2c1C(N)CCC2.
What is the InChIKey of 3-(4-amino-3-tert-butyl-4,5,6,7-tetrahydroindazol-1-yl)propanoic acid?
The InChIKey is YMPYORSPEMJLMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-14(2,3)13-12-9(15)5-4-6-10(12)17(16-13)8-7-11(18)19/h9H,4-8,15H2,1-3H3,(H,18,19).
What are the key properties of 3-(4-amino-3-tert-butyl-4,5,6,7-tetrahydroindazol-1-yl)propanoic acid?
3-(4-amino-3-tert-butyl-4,5,6,7-tetrahydroindazol-1-yl)propanoic acid has a molecular weight of 265.36 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-3-tert-butyl-4,5,6,7-tetrahydroindazol-1-yl)propanoic acid is sourced from PubChem (CID 82592268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).