1-(cyclobutanecarbonylamino)piperidine-3-carboxylic acid

C11H18N2O3 — CID 174598690

IUPAC1-(cyclobutanecarbonylamino)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(NC(=O)C2CCC2)C1
InChIInChI=1S/C11H18N2O3/c14-10(8-3-1-4-8)12-13-6-2-5-9(7-13)11(15)16/h8-9H,1-7H2,(H,12,14)(H,15,16)
InChIKeyIVGSLHQBJYIFRR-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.61
Rot. Bonds3

About 1-(cyclobutanecarbonylamino)piperidine-3-carboxylic acid

1-(cyclobutanecarbonylamino)piperidine-3-carboxylic acid (PubChem CID 174598690) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 1-(cyclobutanecarbonylamino)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(cyclobutanecarbonylamino)piperidine-3-carboxylic acid
PubChem CID174598690
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name1-(cyclobutanecarbonylamino)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(NC(=O)C2CCC2)C1
InChIInChI=1S/C11H18N2O3/c14-10(8-3-1-4-8)12-13-6-2-5-9(7-13)11(15)16/h8-9H,1-7H2,(H,12,14)(H,15,16)
InChIKeyIVGSLHQBJYIFRR-UHFFFAOYSA-N
XLogP0.61
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(cyclobutanecarbonylamino)piperidine-3-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-(cyclobutanecarbonylamino)piperidine-3-carboxylic acid?
The IUPAC name of 1-(cyclobutanecarbonylamino)piperidine-3-carboxylic acid (CID 174598690) is 1-(cyclobutanecarbonylamino)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(cyclobutanecarbonylamino)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(cyclobutanecarbonylamino)piperidine-3-carboxylic acid is O=C(O)C1CCCN(NC(=O)C2CCC2)C1.
What is the InChIKey of 1-(cyclobutanecarbonylamino)piperidine-3-carboxylic acid?
The InChIKey is IVGSLHQBJYIFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c14-10(8-3-1-4-8)12-13-6-2-5-9(7-13)11(15)16/h8-9H,1-7H2,(H,12,14)(H,15,16).
What are the key properties of 1-(cyclobutanecarbonylamino)piperidine-3-carboxylic acid?
1-(cyclobutanecarbonylamino)piperidine-3-carboxylic acid has a molecular weight of 226.28 g/mol, XLogP of 0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutanecarbonylamino)piperidine-3-carboxylic acid is sourced from PubChem (CID 174598690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).