(4-carboxycyclohexyl)azanium

C7H14NO2+ — CID 4518459

IUPAC(4-carboxycyclohexyl)azanium
SMILES[NH3+]C1CCC(C(=O)O)CC1
InChIInChI=1S/C7H13NO2/c8-6-3-1-5(2-4-6)7(9)10/h5-6H,1-4,8H2,(H,9,10)/p+1
InChIKeyDRNGLYHKYPNTEA-UHFFFAOYSA-O
MW144.19 g/mol
LogP-0.13
Rot. Bonds1

About (4-carboxycyclohexyl)azanium

(4-carboxycyclohexyl)azanium (PubChem CID 4518459) has the molecular formula C7H14NO2+ and a molecular weight of 144.19 g/mol. Its IUPAC name is (4-carboxycyclohexyl)azanium.

Molecular Properties

Compound Name(4-carboxycyclohexyl)azanium
PubChem CID4518459
Molecular FormulaC7H14NO2+
Molecular Weight144.19 g/mol
Exact Mass144.10
IUPAC Name(4-carboxycyclohexyl)azanium
SMILES[NH3+]C1CCC(C(=O)O)CC1
InChIInChI=1S/C7H13NO2/c8-6-3-1-5(2-4-6)7(9)10/h5-6H,1-4,8H2,(H,9,10)/p+1
InChIKeyDRNGLYHKYPNTEA-UHFFFAOYSA-O
XLogP-0.13
TPSA64.94 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.19
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

cyclohexane-1,4-dicarboxylic acid;hydrobromide
CID 70215185
cyclopropanecarboxylic acid;hydroiodide
CID 67700319
cyclohexane-1,4-dicarboxylic acid;cyclopentane-1,3-dicarboxylic acid
CID 161475893
cyclohexane-1,4-dicarboxylic acid;formic acid
CID 157153528
cyclopentanecarboxylic acid
CID 18840
(3S)-cyclopentane-1,3-dicarboxylic acid
CID 138481198
cyclopentanecarboxylic acid;indigane
CID 173230713
cyclotetracosanecarboxylic acid
CID 176986816
cyclooctadecane-1,7,13-tricarboxylic acid
CID 10715056
cyclohexanecarboxylic acid
CID 11286469
cyclobutanecarboxylic acid;hydrofluoride
CID 161438543
cyclohexane-1,4-dicarboxylic acid;prop-1-ene
CID 70631081

Frequently Asked Questions

What is the IUPAC name of (4-carboxycyclohexyl)azanium?
The IUPAC name of (4-carboxycyclohexyl)azanium (CID 4518459) is (4-carboxycyclohexyl)azanium.
What is the SMILES notation for (4-carboxycyclohexyl)azanium?
The canonical SMILES for (4-carboxycyclohexyl)azanium is [NH3+]C1CCC(C(=O)O)CC1.
What is the InChIKey of (4-carboxycyclohexyl)azanium?
The InChIKey is DRNGLYHKYPNTEA-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H13NO2/c8-6-3-1-5(2-4-6)7(9)10/h5-6H,1-4,8H2,(H,9,10)/p+1.
What are the key properties of (4-carboxycyclohexyl)azanium?
(4-carboxycyclohexyl)azanium has a molecular weight of 144.19 g/mol, XLogP of -0.13, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-carboxycyclohexyl)azanium is sourced from PubChem (CID 4518459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).