4-indazol-1-yl-2-methyl-2-(propan-2-ylamino)butanoic acid

C15H21N3O2 — CID 62139653

IUPAC4-indazol-1-yl-2-methyl-2-(propan-2-ylamino)butanoic acid
SMILESCC(C)NC(C)(CCn1ncc2ccccc21)C(=O)O
InChIInChI=1S/C15H21N3O2/c1-11(2)17-15(3,14(19)20)8-9-18-13-7-5-4-6-12(13)10-16-18/h4-7,10-11,17H,8-9H2,1-3H3,(H,19,20)
InChIKeyARIZSAZGYLXAHH-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.27
Rot. Bonds6

About 4-indazol-1-yl-2-methyl-2-(propan-2-ylamino)butanoic acid

4-indazol-1-yl-2-methyl-2-(propan-2-ylamino)butanoic acid (PubChem CID 62139653) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 4-indazol-1-yl-2-methyl-2-(propan-2-ylamino)butanoic acid.

Molecular Properties

Compound Name4-indazol-1-yl-2-methyl-2-(propan-2-ylamino)butanoic acid
PubChem CID62139653
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name4-indazol-1-yl-2-methyl-2-(propan-2-ylamino)butanoic acid
SMILESCC(C)NC(C)(CCn1ncc2ccccc21)C(=O)O
InChIInChI=1S/C15H21N3O2/c1-11(2)17-15(3,14(19)20)8-9-18-13-7-5-4-6-12(13)10-16-18/h4-7,10-11,17H,8-9H2,1-3H3,(H,19,20)
InChIKeyARIZSAZGYLXAHH-UHFFFAOYSA-N
XLogP2.27
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-indazol-1-yl-2-methyl-2-(propan-2-ylamino)butanoic 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 4-indazol-1-yl-2-methyl-2-(propan-2-ylamino)butanoic acid?
The IUPAC name of 4-indazol-1-yl-2-methyl-2-(propan-2-ylamino)butanoic acid (CID 62139653) is 4-indazol-1-yl-2-methyl-2-(propan-2-ylamino)butanoic acid.
What is the SMILES notation for 4-indazol-1-yl-2-methyl-2-(propan-2-ylamino)butanoic acid?
The canonical SMILES for 4-indazol-1-yl-2-methyl-2-(propan-2-ylamino)butanoic acid is CC(C)NC(C)(CCn1ncc2ccccc21)C(=O)O.
What is the InChIKey of 4-indazol-1-yl-2-methyl-2-(propan-2-ylamino)butanoic acid?
The InChIKey is ARIZSAZGYLXAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-11(2)17-15(3,14(19)20)8-9-18-13-7-5-4-6-12(13)10-16-18/h4-7,10-11,17H,8-9H2,1-3H3,(H,19,20).
What are the key properties of 4-indazol-1-yl-2-methyl-2-(propan-2-ylamino)butanoic acid?
4-indazol-1-yl-2-methyl-2-(propan-2-ylamino)butanoic acid has a molecular weight of 275.35 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-indazol-1-yl-2-methyl-2-(propan-2-ylamino)butanoic acid is sourced from PubChem (CID 62139653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).