ethyl (2S)-2-amino-2-cyclopentylacetate;hydrochloride

C9H18ClNO2 — CID 20850009

IUPACethyl (2S)-2-amino-2-cyclopentylacetate;hydrochloride
SMILESCCOC(=O)[C@@H](N)C1CCCC1.Cl
InChIInChI=1S/C9H17NO2.ClH/c1-2-12-9(11)8(10)7-5-3-4-6-7;/h7-8H,2-6,10H2,1H3;1H/t8-;/m0./s1
InChIKeyUJPZXWYOUDJEQA-QRPNPIFTSA-N
MW207.70 g/mol
LogP1.49
Rot. Bonds3

About ethyl (2S)-2-amino-2-cyclopentylacetate;hydrochloride

ethyl (2S)-2-amino-2-cyclopentylacetate;hydrochloride (PubChem CID 20850009) has the molecular formula C9H18ClNO2 and a molecular weight of 207.70 g/mol. Its IUPAC name is ethyl (2S)-2-amino-2-cyclopentylacetate;hydrochloride.

Molecular Properties

Compound Nameethyl (2S)-2-amino-2-cyclopentylacetate;hydrochloride
PubChem CID20850009
Molecular FormulaC9H18ClNO2
Molecular Weight207.70 g/mol
Exact Mass207.10
IUPAC Nameethyl (2S)-2-amino-2-cyclopentylacetate;hydrochloride
SMILESCCOC(=O)[C@@H](N)C1CCCC1.Cl
InChIInChI=1S/C9H17NO2.ClH/c1-2-12-9(11)8(10)7-5-3-4-6-7;/h7-8H,2-6,10H2,1H3;1H/t8-;/m0./s1
InChIKeyUJPZXWYOUDJEQA-QRPNPIFTSA-N
XLogP1.49
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.70
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

rac-ethyl (1R,2R)-2-aminocyclopentane-1-carboxylate hydrochloride
CID 71301487
3-Methylbutyl 2-amino-6,6-dimethylheptanoate--hydrogen chloride (1/1)
CID 42779
rac-ethyl (1R,2S)-2-aminocyclopentane-1-carboxylate hydrochloride
CID 2725067
Ethyl 1-aminocyclopentane-1-carboxylate hydrochloride
CID 3028134
Ethyl 2-amino-3-cyclohexylpropanoate hydrochloride
CID 11287788
Ethyl trans-2-(4-Aminocyclohexyl)acetate Hydrochloride
CID 12603945
H-Cha-OMe hydrochloride
CID 13833919
Methyl 2-amino-2-cyclohexylacetate hydrochloride
CID 22259438
Ethyl 2-amino-2-cyclohexylacetate hydrochloride
CID 22492156
methyl (2S)-2-amino-3-cyclohexylpropanoate hydrochloride
CID 22861687
Ethyl 2-amino-3-cyclobutylpropanoate
CID 23594366
(S)-Amino-Cyclopentyl-Acetic Acid Methyl Ester Hydrochloride
CID 51358379

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-amino-2-cyclopentylacetate;hydrochloride?
The IUPAC name of ethyl (2S)-2-amino-2-cyclopentylacetate;hydrochloride (CID 20850009) is ethyl (2S)-2-amino-2-cyclopentylacetate;hydrochloride.
What is the SMILES notation for ethyl (2S)-2-amino-2-cyclopentylacetate;hydrochloride?
The canonical SMILES for ethyl (2S)-2-amino-2-cyclopentylacetate;hydrochloride is CCOC(=O)[C@@H](N)C1CCCC1.Cl.
What is the InChIKey of ethyl (2S)-2-amino-2-cyclopentylacetate;hydrochloride?
The InChIKey is UJPZXWYOUDJEQA-QRPNPIFTSA-N. The full InChI is InChI=1S/C9H17NO2.ClH/c1-2-12-9(11)8(10)7-5-3-4-6-7;/h7-8H,2-6,10H2,1H3;1H/t8-;/m0./s1.
What are the key properties of ethyl (2S)-2-amino-2-cyclopentylacetate;hydrochloride?
ethyl (2S)-2-amino-2-cyclopentylacetate;hydrochloride has a molecular weight of 207.70 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-amino-2-cyclopentylacetate;hydrochloride is sourced from PubChem (CID 20850009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).