4-(methylazaniumyl)cyclohexane-1-carboxylate

C8H15NO2 — CID 36688288

IUPAC4-(methylazaniumyl)cyclohexane-1-carboxylate
SMILESC[NH2+]C1CCC(C(=O)[O-])CC1
InChIInChI=1S/C8H15NO2/c1-9-7-4-2-6(3-5-7)8(10)11/h6-7,9H,2-5H2,1H3,(H,10,11)
InChIKeyDYQVRDISZFVXHV-UHFFFAOYSA-N
MW157.21 g/mol
LogP-1.51
Rot. Bonds2

About 4-(methylazaniumyl)cyclohexane-1-carboxylate

4-(methylazaniumyl)cyclohexane-1-carboxylate (PubChem CID 36688288) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 4-(methylazaniumyl)cyclohexane-1-carboxylate.

Molecular Properties

Compound Name4-(methylazaniumyl)cyclohexane-1-carboxylate
PubChem CID36688288
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name4-(methylazaniumyl)cyclohexane-1-carboxylate
SMILESC[NH2+]C1CCC(C(=O)[O-])CC1
InChIInChI=1S/C8H15NO2/c1-9-7-4-2-6(3-5-7)8(10)11/h6-7,9H,2-5H2,1H3,(H,10,11)
InChIKeyDYQVRDISZFVXHV-UHFFFAOYSA-N
XLogP-1.51
TPSA56.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 5-1.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Methyl (1r,4r)-4-aminocyclohexane-1-carboxylate hydrochloride
CID 18521575
4-Acetamidocyclohexane-1-carboxylic acid
CID 14788214
Ethyl 4-(ethylamino)cyclohexane-1-carboxylate
CID 57617608
4-(Hexadecylamino)cyclohexane-1-carboxylic acid
CID 44279625
Methyl 4-(hexadecylamino)cyclohexane-1-carboxylate
CID 44279893
cis-4-Ammoniocyclohexanecarboxylate
CID 40482209
Cis-4-(methylamino)cyclohexanecarboxylic acid
CID 429561
Methyl 4-aminocyclohexanecarboxylate
CID 422580
rel-methyl (1R,3S,4R)-4-amino-3-fluoro-cyclohexanecarboxylate
CID 122679276
4-Methylaminocyclohexane-1-carboxylic acid
CID 24197306
Ammonium 4-aminocyclohexanecarboxylate
CID 129809521
4-(2,2,2-Trifluoroethylamino)cyclohexane-1-carboxylic acid
CID 60809885

Frequently Asked Questions

What is the IUPAC name of 4-(methylazaniumyl)cyclohexane-1-carboxylate?
The IUPAC name of 4-(methylazaniumyl)cyclohexane-1-carboxylate (CID 36688288) is 4-(methylazaniumyl)cyclohexane-1-carboxylate.
What is the SMILES notation for 4-(methylazaniumyl)cyclohexane-1-carboxylate?
The canonical SMILES for 4-(methylazaniumyl)cyclohexane-1-carboxylate is C[NH2+]C1CCC(C(=O)[O-])CC1.
What is the InChIKey of 4-(methylazaniumyl)cyclohexane-1-carboxylate?
The InChIKey is DYQVRDISZFVXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-9-7-4-2-6(3-5-7)8(10)11/h6-7,9H,2-5H2,1H3,(H,10,11).
What are the key properties of 4-(methylazaniumyl)cyclohexane-1-carboxylate?
4-(methylazaniumyl)cyclohexane-1-carboxylate has a molecular weight of 157.21 g/mol, XLogP of -1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylazaniumyl)cyclohexane-1-carboxylate is sourced from PubChem (CID 36688288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).