4-amino-1-pyridin-2-ylcyclohexane-1-carboxylic acid

C12H16N2O2 — CID 83707122

IUPAC4-amino-1-pyridin-2-ylcyclohexane-1-carboxylic acid
SMILESNC1CCC(C(=O)O)(c2ccccn2)CC1
InChIInChI=1S/C12H16N2O2/c13-9-4-6-12(7-5-9,11(15)16)10-3-1-2-8-14-10/h1-3,8-9H,4-7,13H2,(H,15,16)
InChIKeyPSQFRLIOWADDBF-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.31
Rot. Bonds2

About 4-amino-1-pyridin-2-ylcyclohexane-1-carboxylic acid

4-amino-1-pyridin-2-ylcyclohexane-1-carboxylic acid (PubChem CID 83707122) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 4-amino-1-pyridin-2-ylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-amino-1-pyridin-2-ylcyclohexane-1-carboxylic acid
PubChem CID83707122
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name4-amino-1-pyridin-2-ylcyclohexane-1-carboxylic acid
SMILESNC1CCC(C(=O)O)(c2ccccn2)CC1
InChIInChI=1S/C12H16N2O2/c13-9-4-6-12(7-5-9,11(15)16)10-3-1-2-8-14-10/h1-3,8-9H,4-7,13H2,(H,15,16)
InChIKeyPSQFRLIOWADDBF-UHFFFAOYSA-N
XLogP1.31
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 ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-pyridin-2-ylcyclopropane-1-carboxylic acid;hydrochloride
CID 56604209
1-pyridin-2-ylcyclohexane-1-carbohydrazide
CID 116844535
2-[4-(dimethylamino)-4-pyridin-2-ylcyclohexyl]acetic acid
CID 67386533
(3-amino-1-pyridin-2-ylcyclopentyl)-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;hydrochloride
CID 162327483
4,4-dimethoxy-1-pyridin-2-ylcyclohexane-1-carboxamide
CID 144998145
4-hydroxy-4-pyridin-2-ylcyclohexane-1-carbaldehyde
CID 170973042
(1,4-diaminocyclohexyl)-phenylmethanone
CID 141353402
3-pyridin-2-ylbicyclo[1.1.1]pentane-1-carboxylic acid;hydrochloride
CID 163342206
(5-amino-2-pyridinyl)-(1-pyridin-2-ylcyclopropyl)methanone
CID 170314471
4-fluoro-1-phenylcyclohexane-1-carboxylic acid
CID 83853907
1-(3-fluoro-2-pyridinyl)cyclopropane-1-carboxylic acid
CID 84657708
1-(2-pyridin-2-yl-1,3-thiazol-4-yl)cyclopentane-1-carboxylic acid
CID 82134596

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-pyridin-2-ylcyclohexane-1-carboxylic acid?
The IUPAC name of 4-amino-1-pyridin-2-ylcyclohexane-1-carboxylic acid (CID 83707122) is 4-amino-1-pyridin-2-ylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-amino-1-pyridin-2-ylcyclohexane-1-carboxylic acid?
The canonical SMILES for 4-amino-1-pyridin-2-ylcyclohexane-1-carboxylic acid is NC1CCC(C(=O)O)(c2ccccn2)CC1.
What is the InChIKey of 4-amino-1-pyridin-2-ylcyclohexane-1-carboxylic acid?
The InChIKey is PSQFRLIOWADDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c13-9-4-6-12(7-5-9,11(15)16)10-3-1-2-8-14-10/h1-3,8-9H,4-7,13H2,(H,15,16).
What are the key properties of 4-amino-1-pyridin-2-ylcyclohexane-1-carboxylic acid?
4-amino-1-pyridin-2-ylcyclohexane-1-carboxylic acid has a molecular weight of 220.27 g/mol, XLogP of 1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-pyridin-2-ylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 83707122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).