4-[(3-amino-4-pyridinyl)amino]piperidine-1-carboxylic acid

C11H16N4O2 — CID 143481512

IUPAC4-[(3-amino-4-pyridinyl)amino]piperidine-1-carboxylic acid
SMILESNc1cnccc1NC1CCN(C(=O)O)CC1
InChIInChI=1S/C11H16N4O2/c12-9-7-13-4-1-10(9)14-8-2-5-15(6-3-8)11(16)17/h1,4,7-8H,2-3,5-6,12H2,(H,13,14)(H,16,17)
InChIKeyCYMWWTKOEUVULC-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.22
Rot. Bonds2

About 4-[(3-amino-4-pyridinyl)amino]piperidine-1-carboxylic acid

4-[(3-amino-4-pyridinyl)amino]piperidine-1-carboxylic acid (PubChem CID 143481512) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 4-[(3-amino-4-pyridinyl)amino]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[(3-amino-4-pyridinyl)amino]piperidine-1-carboxylic acid
PubChem CID143481512
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name4-[(3-amino-4-pyridinyl)amino]piperidine-1-carboxylic acid
SMILESNc1cnccc1NC1CCN(C(=O)O)CC1
InChIInChI=1S/C11H16N4O2/c12-9-7-13-4-1-10(9)14-8-2-5-15(6-3-8)11(16)17/h1,4,7-8H,2-3,5-6,12H2,(H,13,14)(H,16,17)
InChIKeyCYMWWTKOEUVULC-UHFFFAOYSA-N
XLogP1.22
TPSA91.48 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-amino-4-pyridinyl)amino]piperidine-1-carboxylic acid?
The IUPAC name of 4-[(3-amino-4-pyridinyl)amino]piperidine-1-carboxylic acid (CID 143481512) is 4-[(3-amino-4-pyridinyl)amino]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[(3-amino-4-pyridinyl)amino]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[(3-amino-4-pyridinyl)amino]piperidine-1-carboxylic acid is Nc1cnccc1NC1CCN(C(=O)O)CC1.
What is the InChIKey of 4-[(3-amino-4-pyridinyl)amino]piperidine-1-carboxylic acid?
The InChIKey is CYMWWTKOEUVULC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c12-9-7-13-4-1-10(9)14-8-2-5-15(6-3-8)11(16)17/h1,4,7-8H,2-3,5-6,12H2,(H,13,14)(H,16,17).
What are the key properties of 4-[(3-amino-4-pyridinyl)amino]piperidine-1-carboxylic acid?
4-[(3-amino-4-pyridinyl)amino]piperidine-1-carboxylic acid has a molecular weight of 236.27 g/mol, XLogP of 1.22, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-amino-4-pyridinyl)amino]piperidine-1-carboxylic acid is sourced from PubChem (CID 143481512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).