1-(4-aminopiperidine-1-carbonyl)cyclobutane-1-carboxylic acid

C11H18N2O3 — CID 62097142

IUPAC1-(4-aminopiperidine-1-carbonyl)cyclobutane-1-carboxylic acid
SMILESNC1CCN(C(=O)C2(C(=O)O)CCC2)CC1
InChIInChI=1S/C11H18N2O3/c12-8-2-6-13(7-3-8)9(14)11(10(15)16)4-1-5-11/h8H,1-7,12H2,(H,15,16)
InChIKeyOQZDPGBBVMLBFH-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.19
Rot. Bonds2

About 1-(4-aminopiperidine-1-carbonyl)cyclobutane-1-carboxylic acid

1-(4-aminopiperidine-1-carbonyl)cyclobutane-1-carboxylic acid (PubChem CID 62097142) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 1-(4-aminopiperidine-1-carbonyl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(4-aminopiperidine-1-carbonyl)cyclobutane-1-carboxylic acid
PubChem CID62097142
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name1-(4-aminopiperidine-1-carbonyl)cyclobutane-1-carboxylic acid
SMILESNC1CCN(C(=O)C2(C(=O)O)CCC2)CC1
InChIInChI=1S/C11H18N2O3/c12-8-2-6-13(7-3-8)9(14)11(10(15)16)4-1-5-11/h8H,1-7,12H2,(H,15,16)
InChIKeyOQZDPGBBVMLBFH-UHFFFAOYSA-N
XLogP0.19
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopiperidine-1-carbonyl)cyclobutane-1-carboxylic acid?
The IUPAC name of 1-(4-aminopiperidine-1-carbonyl)cyclobutane-1-carboxylic acid (CID 62097142) is 1-(4-aminopiperidine-1-carbonyl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(4-aminopiperidine-1-carbonyl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(4-aminopiperidine-1-carbonyl)cyclobutane-1-carboxylic acid is NC1CCN(C(=O)C2(C(=O)O)CCC2)CC1.
What is the InChIKey of 1-(4-aminopiperidine-1-carbonyl)cyclobutane-1-carboxylic acid?
The InChIKey is OQZDPGBBVMLBFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c12-8-2-6-13(7-3-8)9(14)11(10(15)16)4-1-5-11/h8H,1-7,12H2,(H,15,16).
What are the key properties of 1-(4-aminopiperidine-1-carbonyl)cyclobutane-1-carboxylic acid?
1-(4-aminopiperidine-1-carbonyl)cyclobutane-1-carboxylic acid has a molecular weight of 226.28 g/mol, XLogP of 0.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminopiperidine-1-carbonyl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 62097142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).