4-(2-amino-3-pyridinyl)cyclohexane-1-carboxylic acid

C12H16N2O2 — CID 142791265

IUPAC4-(2-amino-3-pyridinyl)cyclohexane-1-carboxylic acid
SMILESNc1ncccc1C1CCC(C(=O)O)CC1
InChIInChI=1S/C12H16N2O2/c13-11-10(2-1-7-14-11)8-3-5-9(6-4-8)12(15)16/h1-2,7-9H,3-6H2,(H2,13,14)(H,15,16)
InChIKeyAPHHSOJXICEIFC-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.02
Rot. Bonds2

About 4-(2-amino-3-pyridinyl)cyclohexane-1-carboxylic acid

4-(2-amino-3-pyridinyl)cyclohexane-1-carboxylic acid (PubChem CID 142791265) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 4-(2-amino-3-pyridinyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(2-amino-3-pyridinyl)cyclohexane-1-carboxylic acid
PubChem CID142791265
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name4-(2-amino-3-pyridinyl)cyclohexane-1-carboxylic acid
SMILESNc1ncccc1C1CCC(C(=O)O)CC1
InChIInChI=1S/C12H16N2O2/c13-11-10(2-1-7-14-11)8-3-5-9(6-4-8)12(15)16/h1-2,7-9H,3-6H2,(H2,13,14)(H,15,16)
InChIKeyAPHHSOJXICEIFC-UHFFFAOYSA-N
XLogP2.02
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-3-pyridinyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(2-amino-3-pyridinyl)cyclohexane-1-carboxylic acid (CID 142791265) is 4-(2-amino-3-pyridinyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(2-amino-3-pyridinyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(2-amino-3-pyridinyl)cyclohexane-1-carboxylic acid is Nc1ncccc1C1CCC(C(=O)O)CC1.
What is the InChIKey of 4-(2-amino-3-pyridinyl)cyclohexane-1-carboxylic acid?
The InChIKey is APHHSOJXICEIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c13-11-10(2-1-7-14-11)8-3-5-9(6-4-8)12(15)16/h1-2,7-9H,3-6H2,(H2,13,14)(H,15,16).
What are the key properties of 4-(2-amino-3-pyridinyl)cyclohexane-1-carboxylic acid?
4-(2-amino-3-pyridinyl)cyclohexane-1-carboxylic acid has a molecular weight of 220.27 g/mol, XLogP of 2.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-3-pyridinyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 142791265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).