cis-methyl (1R,2S)-2-aminocyclooctane-1-carboxylate;hydrochloride

C10H20ClNO2 — CID 11615491

IUPACcis-methyl (1R,2S)-2-aminocyclooctane-1-carboxylate;hydrochloride
SMILESCOC(=O)[C@@H]1CCCCCC[C@@H]1N.Cl
InChIInChI=1S/C10H19NO2.ClH/c1-13-10(12)8-6-4-2-3-5-7-9(8)11;/h8-9H,2-7,11H2,1H3;1H/t8-,9+;/m1./s1
InChIKeyGEGCJDINFDQDRC-RJUBDTSPSA-N
MW221.73 g/mol
LogP1.88
Rot. Bonds1

About cis-methyl (1R,2S)-2-aminocyclooctane-1-carboxylate;hydrochloride

cis-methyl (1R,2S)-2-aminocyclooctane-1-carboxylate;hydrochloride (PubChem CID 11615491) has the molecular formula C10H20ClNO2 and a molecular weight of 221.73 g/mol. Its IUPAC name is cis-methyl (1R,2S)-2-aminocyclooctane-1-carboxylate;hydrochloride.

Molecular Properties

Compound Namecis-methyl (1R,2S)-2-aminocyclooctane-1-carboxylate;hydrochloride
PubChem CID11615491
Molecular FormulaC10H20ClNO2
Molecular Weight221.73 g/mol
Exact Mass221.12
IUPAC Namecis-methyl (1R,2S)-2-aminocyclooctane-1-carboxylate;hydrochloride
SMILESCOC(=O)[C@@H]1CCCCCC[C@@H]1N.Cl
InChIInChI=1S/C10H19NO2.ClH/c1-13-10(12)8-6-4-2-3-5-7-9(8)11;/h8-9H,2-7,11H2,1H3;1H/t8-,9+;/m1./s1
InChIKeyGEGCJDINFDQDRC-RJUBDTSPSA-N
XLogP1.88
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.73
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cis-methyl (1R,2S)-2-aminocyclooctane-1-carboxylate;hydrochloride?
The IUPAC name of cis-methyl (1R,2S)-2-aminocyclooctane-1-carboxylate;hydrochloride (CID 11615491) is cis-methyl (1R,2S)-2-aminocyclooctane-1-carboxylate;hydrochloride.
What is the SMILES notation for cis-methyl (1R,2S)-2-aminocyclooctane-1-carboxylate;hydrochloride?
The canonical SMILES for cis-methyl (1R,2S)-2-aminocyclooctane-1-carboxylate;hydrochloride is COC(=O)[C@@H]1CCCCCC[C@@H]1N.Cl.
What is the InChIKey of cis-methyl (1R,2S)-2-aminocyclooctane-1-carboxylate;hydrochloride?
The InChIKey is GEGCJDINFDQDRC-RJUBDTSPSA-N. The full InChI is InChI=1S/C10H19NO2.ClH/c1-13-10(12)8-6-4-2-3-5-7-9(8)11;/h8-9H,2-7,11H2,1H3;1H/t8-,9+;/m1./s1.
What are the key properties of cis-methyl (1R,2S)-2-aminocyclooctane-1-carboxylate;hydrochloride?
cis-methyl (1R,2S)-2-aminocyclooctane-1-carboxylate;hydrochloride has a molecular weight of 221.73 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-methyl (1R,2S)-2-aminocyclooctane-1-carboxylate;hydrochloride is sourced from PubChem (CID 11615491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).