2-azaniumylcyclohexane-1-carboxylate

C7H13NO2 — CID 53400661

IUPAC2-azaniumylcyclohexane-1-carboxylate
SMILES[NH3+]C1CCCCC1C(=O)[O-]
InChIInChI=1S/C7H13NO2/c8-6-4-2-1-3-5(6)7(9)10/h5-6H,1-4,8H2,(H,9,10)
InChIKeyUSQHEVWOPJDAAX-UHFFFAOYSA-N
MW143.19 g/mol
LogP-1.46
Rot. Bonds1

About 2-azaniumylcyclohexane-1-carboxylate

2-azaniumylcyclohexane-1-carboxylate (PubChem CID 53400661) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 2-azaniumylcyclohexane-1-carboxylate.

Molecular Properties

Compound Name2-azaniumylcyclohexane-1-carboxylate
PubChem CID53400661
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name2-azaniumylcyclohexane-1-carboxylate
SMILES[NH3+]C1CCCCC1C(=O)[O-]
InChIInChI=1S/C7H13NO2/c8-6-4-2-1-3-5(6)7(9)10/h5-6H,1-4,8H2,(H,9,10)
InChIKeyUSQHEVWOPJDAAX-UHFFFAOYSA-N
XLogP-1.46
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 5-1.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1S,2R)-2-azaniumylcyclohexane-1-carboxylate
CID 7128324
cis-(1R,2S)-2-azaniumylcyclopentane-1-carboxylate
CID 36688289
aluminum;cyclohexane-1,2-dicarboxylate;hydroxide
CID 90236478
cis-(1S,2R)-2-hydroxycyclohexane-1-carboxylate
CID 41097361
sodium 2-hydroxycyclohexane-1-carboxylate
CID 24837048
bis(2-bromocyclohexane-1-carboxylate);cadmium(2+)
CID 22604911
cadmium(2+);bis(2-methylcyclohexane-1-carboxylate)
CID 22603924
[(1S,2S)-2-ethoxycarbonylcyclohexyl]azanium
CID 6946484
2-ethoxycyclohexane-1-carboxylate
CID 23297187
cyclohexylazanium;carbonate
CID 15793122
2-(cyclopentylcarbamoyl)cyclohexane-1-carboxylate
CID 4745906
cis-(1R,2S)-2-acetamidocyclohexane-1-carboxylate
CID 9442541

Frequently Asked Questions

What is the IUPAC name of 2-azaniumylcyclohexane-1-carboxylate?
The IUPAC name of 2-azaniumylcyclohexane-1-carboxylate (CID 53400661) is 2-azaniumylcyclohexane-1-carboxylate.
What is the SMILES notation for 2-azaniumylcyclohexane-1-carboxylate?
The canonical SMILES for 2-azaniumylcyclohexane-1-carboxylate is [NH3+]C1CCCCC1C(=O)[O-].
What is the InChIKey of 2-azaniumylcyclohexane-1-carboxylate?
The InChIKey is USQHEVWOPJDAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c8-6-4-2-1-3-5(6)7(9)10/h5-6H,1-4,8H2,(H,9,10).
What are the key properties of 2-azaniumylcyclohexane-1-carboxylate?
2-azaniumylcyclohexane-1-carboxylate has a molecular weight of 143.19 g/mol, XLogP of -1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azaniumylcyclohexane-1-carboxylate is sourced from PubChem (CID 53400661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).