cis-(1R,2S)-2-azaniumylcyclopentane-1-carboxylate

C6H11NO2 — CID 36688289

IUPACcis-(1R,2S)-2-azaniumylcyclopentane-1-carboxylate
SMILES[NH3+][C@H]1CCC[C@H]1C(=O)[O-]
InChIInChI=1S/C6H11NO2/c7-5-3-1-2-4(5)6(8)9/h4-5H,1-3,7H2,(H,8,9)/t4-,5+/m1/s1
InChIKeyJWYOAMOZLZXDER-UHNVWZDZSA-N
MW129.16 g/mol
LogP-1.85
Rot. Bonds1

About cis-(1R,2S)-2-azaniumylcyclopentane-1-carboxylate

cis-(1R,2S)-2-azaniumylcyclopentane-1-carboxylate (PubChem CID 36688289) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is cis-(1R,2S)-2-azaniumylcyclopentane-1-carboxylate.

Molecular Properties

Compound Namecis-(1R,2S)-2-azaniumylcyclopentane-1-carboxylate
PubChem CID36688289
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Namecis-(1R,2S)-2-azaniumylcyclopentane-1-carboxylate
SMILES[NH3+][C@H]1CCC[C@H]1C(=O)[O-]
InChIInChI=1S/C6H11NO2/c7-5-3-1-2-4(5)6(8)9/h4-5H,1-3,7H2,(H,8,9)/t4-,5+/m1/s1
InChIKeyJWYOAMOZLZXDER-UHNVWZDZSA-N
XLogP-1.85
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-1.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-azaniumylcyclohexane-1-carboxylate
CID 53400661
cis-(1S,2R)-2-azaniumylcyclohexane-1-carboxylate
CID 7128324
aluminum;cyclohexane-1,2-dicarboxylate;hydroxide
CID 90236478
cis-(1S,2R)-2-hydroxycyclohexane-1-carboxylate
CID 41097361
2-(dimethylazaniumyl)cyclopentane-1-carboxylate
CID 140922658
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
azanium cyclobutanecarboxylate
CID 160775595
2-ethoxycyclohexane-1-carboxylate
CID 23297187
[(1S,2S)-2-ethoxycarbonylcyclohexyl]azanium
CID 6946484
cyclohexylazanium;carbonate
CID 15793122

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-azaniumylcyclopentane-1-carboxylate?
The IUPAC name of cis-(1R,2S)-2-azaniumylcyclopentane-1-carboxylate (CID 36688289) is cis-(1R,2S)-2-azaniumylcyclopentane-1-carboxylate.
What is the SMILES notation for cis-(1R,2S)-2-azaniumylcyclopentane-1-carboxylate?
The canonical SMILES for cis-(1R,2S)-2-azaniumylcyclopentane-1-carboxylate is [NH3+][C@H]1CCC[C@H]1C(=O)[O-].
What is the InChIKey of cis-(1R,2S)-2-azaniumylcyclopentane-1-carboxylate?
The InChIKey is JWYOAMOZLZXDER-UHNVWZDZSA-N. The full InChI is InChI=1S/C6H11NO2/c7-5-3-1-2-4(5)6(8)9/h4-5H,1-3,7H2,(H,8,9)/t4-,5+/m1/s1.
What are the key properties of cis-(1R,2S)-2-azaniumylcyclopentane-1-carboxylate?
cis-(1R,2S)-2-azaniumylcyclopentane-1-carboxylate has a molecular weight of 129.16 g/mol, XLogP of -1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-azaniumylcyclopentane-1-carboxylate is sourced from PubChem (CID 36688289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).