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

C7H14ClNO2 — CID 14698814

IUPACcis-methyl (1R,2S)-2-aminocyclopentane-1-carboxylate;hydrochloride
SMILESCOC(=O)[C@@H]1CCC[C@@H]1N.Cl
InChIInChI=1S/C7H13NO2.ClH/c1-10-7(9)5-3-2-4-6(5)8;/h5-6H,2-4,8H2,1H3;1H/t5-,6+;/m1./s1
InChIKeyKXQFCNYQRWIKML-IBTYICNHSA-N
MW179.65 g/mol
LogP0.71
Rot. Bonds1

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

cis-methyl (1R,2S)-2-aminocyclopentane-1-carboxylate;hydrochloride (PubChem CID 14698814) has the molecular formula C7H14ClNO2 and a molecular weight of 179.65 g/mol. Its IUPAC name is cis-methyl (1R,2S)-2-aminocyclopentane-1-carboxylate;hydrochloride.

Molecular Properties

Compound Namecis-methyl (1R,2S)-2-aminocyclopentane-1-carboxylate;hydrochloride
PubChem CID14698814
Molecular FormulaC7H14ClNO2
Molecular Weight179.65 g/mol
Exact Mass179.07
IUPAC Namecis-methyl (1R,2S)-2-aminocyclopentane-1-carboxylate;hydrochloride
SMILESCOC(=O)[C@@H]1CCC[C@@H]1N.Cl
InChIInChI=1S/C7H13NO2.ClH/c1-10-7(9)5-3-2-4-6(5)8;/h5-6H,2-4,8H2,1H3;1H/t5-,6+;/m1./s1
InChIKeyKXQFCNYQRWIKML-IBTYICNHSA-N
XLogP0.71
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.65
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Cispentacin
CID 73305
(1S,2R)-2-Aminocyclopentane-1-carboxylic acid
CID 73306
cis-2-Amino-1-cyclopentanecarboxylic acid hydrochloride
CID 2733976
(1R,2R)-2-aminocyclopentane-1-carboxylic acid
CID 5702611
(1S,2S)-2-aminocyclopentane-1-carboxylic acid
CID 10997062
(1S,2S)-2-aminocyclopentanecarboxylic Acid Hydrochloride
CID 56971751
rac-ethyl (1R,2R)-2-aminocyclopentane-1-carboxylate hydrochloride
CID 71301487
2-Aminocyclopentane-1-carboxylic acid hydrochloride
CID 16211922
Cyclopentanecarboxylic acid, 2-amino-
CID 429614
Ethyl (1R,2S)-2-Aminocyclopentanecarboxylate
CID 2725068
rac-ethyl (1R,2S)-2-aminocyclopentane-1-carboxylate hydrochloride
CID 2725067
rac-tert-butyl (1R,2S)-2-aminocyclopentane-1-carboxylate
CID 10012640

Frequently Asked Questions

What is the IUPAC name of cis-methyl (1R,2S)-2-aminocyclopentane-1-carboxylate;hydrochloride?
The IUPAC name of cis-methyl (1R,2S)-2-aminocyclopentane-1-carboxylate;hydrochloride (CID 14698814) is cis-methyl (1R,2S)-2-aminocyclopentane-1-carboxylate;hydrochloride.
What is the SMILES notation for cis-methyl (1R,2S)-2-aminocyclopentane-1-carboxylate;hydrochloride?
The canonical SMILES for cis-methyl (1R,2S)-2-aminocyclopentane-1-carboxylate;hydrochloride is COC(=O)[C@@H]1CCC[C@@H]1N.Cl.
What is the InChIKey of cis-methyl (1R,2S)-2-aminocyclopentane-1-carboxylate;hydrochloride?
The InChIKey is KXQFCNYQRWIKML-IBTYICNHSA-N. The full InChI is InChI=1S/C7H13NO2.ClH/c1-10-7(9)5-3-2-4-6(5)8;/h5-6H,2-4,8H2,1H3;1H/t5-,6+;/m1./s1.
What are the key properties of cis-methyl (1R,2S)-2-aminocyclopentane-1-carboxylate;hydrochloride?
cis-methyl (1R,2S)-2-aminocyclopentane-1-carboxylate;hydrochloride has a molecular weight of 179.65 g/mol, XLogP of 0.71, 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-aminocyclopentane-1-carboxylate;hydrochloride is sourced from PubChem (CID 14698814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).