1-[(3-aminopyridine-2-carbonyl)amino]cyclobutane-1-carboxylic acid

C11H13N3O3 — CID 104742633

IUPAC1-[(3-aminopyridine-2-carbonyl)amino]cyclobutane-1-carboxylic acid
SMILESNc1cccnc1C(=O)NC1(C(=O)O)CCC1
InChIInChI=1S/C11H13N3O3/c12-7-3-1-6-13-8(7)9(15)14-11(10(16)17)4-2-5-11/h1,3,6H,2,4-5,12H2,(H,14,15)(H,16,17)
InChIKeyZGGOFISGBJJCKL-UHFFFAOYSA-N
MW235.24 g/mol
LogP0.40
Rot. Bonds3

About 1-[(3-aminopyridine-2-carbonyl)amino]cyclobutane-1-carboxylic acid

1-[(3-aminopyridine-2-carbonyl)amino]cyclobutane-1-carboxylic acid (PubChem CID 104742633) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 1-[(3-aminopyridine-2-carbonyl)amino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(3-aminopyridine-2-carbonyl)amino]cyclobutane-1-carboxylic acid
PubChem CID104742633
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Name1-[(3-aminopyridine-2-carbonyl)amino]cyclobutane-1-carboxylic acid
SMILESNc1cccnc1C(=O)NC1(C(=O)O)CCC1
InChIInChI=1S/C11H13N3O3/c12-7-3-1-6-13-8(7)9(15)14-11(10(16)17)4-2-5-11/h1,3,6H,2,4-5,12H2,(H,14,15)(H,16,17)
InChIKeyZGGOFISGBJJCKL-UHFFFAOYSA-N
XLogP0.40
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[(3-aminopyridine-2-carbonyl)amino]cyclobutane-1-carboxylic 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 1-[(3-aminopyridine-2-carbonyl)amino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[(3-aminopyridine-2-carbonyl)amino]cyclobutane-1-carboxylic acid (CID 104742633) is 1-[(3-aminopyridine-2-carbonyl)amino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[(3-aminopyridine-2-carbonyl)amino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[(3-aminopyridine-2-carbonyl)amino]cyclobutane-1-carboxylic acid is Nc1cccnc1C(=O)NC1(C(=O)O)CCC1.
What is the InChIKey of 1-[(3-aminopyridine-2-carbonyl)amino]cyclobutane-1-carboxylic acid?
The InChIKey is ZGGOFISGBJJCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c12-7-3-1-6-13-8(7)9(15)14-11(10(16)17)4-2-5-11/h1,3,6H,2,4-5,12H2,(H,14,15)(H,16,17).
What are the key properties of 1-[(3-aminopyridine-2-carbonyl)amino]cyclobutane-1-carboxylic acid?
1-[(3-aminopyridine-2-carbonyl)amino]cyclobutane-1-carboxylic acid has a molecular weight of 235.24 g/mol, XLogP of 0.40, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-aminopyridine-2-carbonyl)amino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 104742633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).