2-[1-[(1-methylindazole-3-carbonyl)amino]cyclobutyl]acetic acid

C15H17N3O3 — CID 103117029

IUPAC2-[1-[(1-methylindazole-3-carbonyl)amino]cyclobutyl]acetic acid
SMILESCn1nc(C(=O)NC2(CC(=O)O)CCC2)c2ccccc21
InChIInChI=1S/C15H17N3O3/c1-18-11-6-3-2-5-10(11)13(17-18)14(21)16-15(7-4-8-15)9-12(19)20/h2-3,5-6H,4,7-9H2,1H3,(H,16,21)(H,19,20)
InChIKeyPNUKSKWFQJCAFS-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.70
Rot. Bonds4

About 2-[1-[(1-methylindazole-3-carbonyl)amino]cyclobutyl]acetic acid

2-[1-[(1-methylindazole-3-carbonyl)amino]cyclobutyl]acetic acid (PubChem CID 103117029) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-[1-[(1-methylindazole-3-carbonyl)amino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(1-methylindazole-3-carbonyl)amino]cyclobutyl]acetic acid
PubChem CID103117029
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name2-[1-[(1-methylindazole-3-carbonyl)amino]cyclobutyl]acetic acid
SMILESCn1nc(C(=O)NC2(CC(=O)O)CCC2)c2ccccc21
InChIInChI=1S/C15H17N3O3/c1-18-11-6-3-2-5-10(11)13(17-18)14(21)16-15(7-4-8-15)9-12(19)20/h2-3,5-6H,4,7-9H2,1H3,(H,16,21)(H,19,20)
InChIKeyPNUKSKWFQJCAFS-UHFFFAOYSA-N
XLogP1.70
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[1-[(1-methylindazole-3-carbonyl)amino]cyclobutyl]acetic 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 2-[1-[(1-methylindazole-3-carbonyl)amino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[(1-methylindazole-3-carbonyl)amino]cyclobutyl]acetic acid (CID 103117029) is 2-[1-[(1-methylindazole-3-carbonyl)amino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[(1-methylindazole-3-carbonyl)amino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[(1-methylindazole-3-carbonyl)amino]cyclobutyl]acetic acid is Cn1nc(C(=O)NC2(CC(=O)O)CCC2)c2ccccc21.
What is the InChIKey of 2-[1-[(1-methylindazole-3-carbonyl)amino]cyclobutyl]acetic acid?
The InChIKey is PNUKSKWFQJCAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-18-11-6-3-2-5-10(11)13(17-18)14(21)16-15(7-4-8-15)9-12(19)20/h2-3,5-6H,4,7-9H2,1H3,(H,16,21)(H,19,20).
What are the key properties of 2-[1-[(1-methylindazole-3-carbonyl)amino]cyclobutyl]acetic acid?
2-[1-[(1-methylindazole-3-carbonyl)amino]cyclobutyl]acetic acid has a molecular weight of 287.32 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1-methylindazole-3-carbonyl)amino]cyclobutyl]acetic acid is sourced from PubChem (CID 103117029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).