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

C8H16ClNO2 — CID 51358379

IUPACmethyl (2S)-2-amino-2-cyclopentylacetate;hydrochloride
SMILESCOC(=O)[C@@H](N)C1CCCC1.Cl
InChIInChI=1S/C8H15NO2.ClH/c1-11-8(10)7(9)6-4-2-3-5-6;/h6-7H,2-5,9H2,1H3;1H/t7-;/m0./s1
InChIKeyOQEFEOSHQDCMLN-FJXQXJEOSA-N
MW193.67 g/mol
LogP1.10
Rot. Bonds2

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

methyl (2S)-2-amino-2-cyclopentylacetate;hydrochloride (PubChem CID 51358379) has the molecular formula C8H16ClNO2 and a molecular weight of 193.67 g/mol. Its IUPAC name is methyl (2S)-2-amino-2-cyclopentylacetate;hydrochloride.

Molecular Properties

Compound Namemethyl (2S)-2-amino-2-cyclopentylacetate;hydrochloride
PubChem CID51358379
Molecular FormulaC8H16ClNO2
Molecular Weight193.67 g/mol
Exact Mass193.09
IUPAC Namemethyl (2S)-2-amino-2-cyclopentylacetate;hydrochloride
SMILESCOC(=O)[C@@H](N)C1CCCC1.Cl
InChIInChI=1S/C8H15NO2.ClH/c1-11-8(10)7(9)6-4-2-3-5-6;/h6-7H,2-5,9H2,1H3;1H/t7-;/m0./s1
InChIKeyOQEFEOSHQDCMLN-FJXQXJEOSA-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 methyl (2S)-2-amino-2-cyclopentylacetate;hydrochloride?
The IUPAC name of methyl (2S)-2-amino-2-cyclopentylacetate;hydrochloride (CID 51358379) is methyl (2S)-2-amino-2-cyclopentylacetate;hydrochloride.
What is the SMILES notation for methyl (2S)-2-amino-2-cyclopentylacetate;hydrochloride?
The canonical SMILES for methyl (2S)-2-amino-2-cyclopentylacetate;hydrochloride is COC(=O)[C@@H](N)C1CCCC1.Cl.
What is the InChIKey of methyl (2S)-2-amino-2-cyclopentylacetate;hydrochloride?
The InChIKey is OQEFEOSHQDCMLN-FJXQXJEOSA-N. The full InChI is InChI=1S/C8H15NO2.ClH/c1-11-8(10)7(9)6-4-2-3-5-6;/h6-7H,2-5,9H2,1H3;1H/t7-;/m0./s1.
What are the key properties of methyl (2S)-2-amino-2-cyclopentylacetate;hydrochloride?
methyl (2S)-2-amino-2-cyclopentylacetate;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 methyl (2S)-2-amino-2-cyclopentylacetate;hydrochloride is sourced from PubChem (CID 51358379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).