cis-ethyl (1R,2S)-2-aminocyclopentane-1-carboxylate;hydrochloride

C8H16ClNO2 — CID 2725067

IUPACcis-ethyl (1R,2S)-2-aminocyclopentane-1-carboxylate;hydrochloride
SMILESCCOC(=O)[C@@H]1CCC[C@@H]1N.Cl
InChIInChI=1S/C8H15NO2.ClH/c1-2-11-8(10)6-4-3-5-7(6)9;/h6-7H,2-5,9H2,1H3;1H/t6-,7+;/m1./s1
InChIKeyRYBMXCZWUCHLJB-HHQFNNIRSA-N
MW193.67 g/mol
LogP1.10
Rot. Bonds2

About cis-ethyl (1R,2S)-2-aminocyclopentane-1-carboxylate;hydrochloride

cis-ethyl (1R,2S)-2-aminocyclopentane-1-carboxylate;hydrochloride (PubChem CID 2725067) has the molecular formula C8H16ClNO2 and a molecular weight of 193.67 g/mol. Its IUPAC name is cis-ethyl (1R,2S)-2-aminocyclopentane-1-carboxylate;hydrochloride.

Molecular Properties

Compound Namecis-ethyl (1R,2S)-2-aminocyclopentane-1-carboxylate;hydrochloride
PubChem CID2725067
Molecular FormulaC8H16ClNO2
Molecular Weight193.67 g/mol
Exact Mass193.09
IUPAC Namecis-ethyl (1R,2S)-2-aminocyclopentane-1-carboxylate;hydrochloride
SMILESCCOC(=O)[C@@H]1CCC[C@@H]1N.Cl
InChIInChI=1S/C8H15NO2.ClH/c1-2-11-8(10)6-4-3-5-7(6)9;/h6-7H,2-5,9H2,1H3;1H/t6-,7+;/m1./s1
InChIKeyRYBMXCZWUCHLJB-HHQFNNIRSA-N
XLogP1.10
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.67
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cis-ethyl (1R,2S)-2-aminocyclopentane-1-carboxylate;hydrochloride?
The IUPAC name of cis-ethyl (1R,2S)-2-aminocyclopentane-1-carboxylate;hydrochloride (CID 2725067) is cis-ethyl (1R,2S)-2-aminocyclopentane-1-carboxylate;hydrochloride.
What is the SMILES notation for cis-ethyl (1R,2S)-2-aminocyclopentane-1-carboxylate;hydrochloride?
The canonical SMILES for cis-ethyl (1R,2S)-2-aminocyclopentane-1-carboxylate;hydrochloride is CCOC(=O)[C@@H]1CCC[C@@H]1N.Cl.
What is the InChIKey of cis-ethyl (1R,2S)-2-aminocyclopentane-1-carboxylate;hydrochloride?
The InChIKey is RYBMXCZWUCHLJB-HHQFNNIRSA-N. The full InChI is InChI=1S/C8H15NO2.ClH/c1-2-11-8(10)6-4-3-5-7(6)9;/h6-7H,2-5,9H2,1H3;1H/t6-,7+;/m1./s1.
What are the key properties of cis-ethyl (1R,2S)-2-aminocyclopentane-1-carboxylate;hydrochloride?
cis-ethyl (1R,2S)-2-aminocyclopentane-1-carboxylate;hydrochloride has a molecular weight of 193.67 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-ethyl (1R,2S)-2-aminocyclopentane-1-carboxylate;hydrochloride is sourced from PubChem (CID 2725067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).