2-(dimethylazaniumyl)cyclopentane-1-carboxylate

C8H15NO2 — CID 140922658

IUPAC2-(dimethylazaniumyl)cyclopentane-1-carboxylate
SMILESC[NH+](C)C1CCCC1C(=O)[O-]
InChIInChI=1S/C8H15NO2/c1-9(2)7-5-3-4-6(7)8(10)11/h6-7H,3-5H2,1-2H3,(H,10,11)
InChIKeySUTVQZOZFBPFOH-UHFFFAOYSA-N
MW157.21 g/mol
LogP-1.95
Rot. Bonds2

About 2-(dimethylazaniumyl)cyclopentane-1-carboxylate

2-(dimethylazaniumyl)cyclopentane-1-carboxylate (PubChem CID 140922658) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 2-(dimethylazaniumyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Name2-(dimethylazaniumyl)cyclopentane-1-carboxylate
PubChem CID140922658
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name2-(dimethylazaniumyl)cyclopentane-1-carboxylate
SMILESC[NH+](C)C1CCCC1C(=O)[O-]
InChIInChI=1S/C8H15NO2/c1-9(2)7-5-3-4-6(7)8(10)11/h6-7H,3-5H2,1-2H3,(H,10,11)
InChIKeySUTVQZOZFBPFOH-UHFFFAOYSA-N
XLogP-1.95
TPSA44.57 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 ≤ 5-1.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

aluminum;cyclohexane-1,2-dicarboxylate;hydroxide
CID 90236478
cis-(1R,2S)-2-azaniumylcyclopentane-1-carboxylate
CID 36688289
cadmium(2+);bis(2-methylcyclohexane-1-carboxylate)
CID 22603924
cis-(1S,2R)-2-hydroxycyclohexane-1-carboxylate
CID 41097361
cis-(1S,2R)-2-azaniumylcyclohexane-1-carboxylate
CID 7128324
sodium 2-hydroxycyclohexane-1-carboxylate
CID 24837048
2-azaniumylcyclohexane-1-carboxylate
CID 53400661
bis(2-bromocyclohexane-1-carboxylate);cadmium(2+)
CID 22604911
cis-(1R,2S)-2-acetamidocyclohexane-1-carboxylate
CID 9442541
cis-(1S,2R)-2-(propan-2-ylcarbamoyl)cyclohexane-1-carboxylate
CID 6927821
azanium cyclobutanecarboxylate
CID 160775595
2-ethoxycyclohexane-1-carboxylate
CID 23297187

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylazaniumyl)cyclopentane-1-carboxylate?
The IUPAC name of 2-(dimethylazaniumyl)cyclopentane-1-carboxylate (CID 140922658) is 2-(dimethylazaniumyl)cyclopentane-1-carboxylate.
What is the SMILES notation for 2-(dimethylazaniumyl)cyclopentane-1-carboxylate?
The canonical SMILES for 2-(dimethylazaniumyl)cyclopentane-1-carboxylate is C[NH+](C)C1CCCC1C(=O)[O-].
What is the InChIKey of 2-(dimethylazaniumyl)cyclopentane-1-carboxylate?
The InChIKey is SUTVQZOZFBPFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-9(2)7-5-3-4-6(7)8(10)11/h6-7H,3-5H2,1-2H3,(H,10,11).
What are the key properties of 2-(dimethylazaniumyl)cyclopentane-1-carboxylate?
2-(dimethylazaniumyl)cyclopentane-1-carboxylate has a molecular weight of 157.21 g/mol, XLogP of -1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylazaniumyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 140922658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).