methyl 4-(2-aminocyclopentyl)sulfanylbutanoate

C10H19NO2S — CID 155858507

IUPACmethyl 4-(2-aminocyclopentyl)sulfanylbutanoate
SMILESCOC(=O)CCCSC1CCCC1N
InChIInChI=1S/C10H19NO2S/c1-13-10(12)6-3-7-14-9-5-2-4-8(9)11/h8-9H,2-7,11H2,1H3
InChIKeyHBYNSLNRXKGADE-UHFFFAOYSA-N
MW217.33 g/mol
LogP1.55
Rot. Bonds5

About methyl 4-(2-aminocyclopentyl)sulfanylbutanoate

methyl 4-(2-aminocyclopentyl)sulfanylbutanoate (PubChem CID 155858507) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is methyl 4-(2-aminocyclopentyl)sulfanylbutanoate.

Molecular Properties

Compound Namemethyl 4-(2-aminocyclopentyl)sulfanylbutanoate
PubChem CID155858507
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC Namemethyl 4-(2-aminocyclopentyl)sulfanylbutanoate
SMILESCOC(=O)CCCSC1CCCC1N
InChIInChI=1S/C10H19NO2S/c1-13-10(12)6-3-7-14-9-5-2-4-8(9)11/h8-9H,2-7,11H2,1H3
InChIKeyHBYNSLNRXKGADE-UHFFFAOYSA-N
XLogP1.55
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 3-[2-(methylamino)cyclopentyl]sulfanylpropanoate
CID 64613523
methyl 3-(2-amino-5-methylcyclohexyl)sulfanylpropanoate
CID 64614352
methyl 3-(2-aminocyclopentyl)propanoate
CID 105434759
methyl 7-[(1R,2S)-2-heptylsulfanylcyclopentyl]hept-5-enoate
CID 54215965
methyl 2-(2-aminocyclopentyl)acetate;hydrochloride
CID 105447728
3-(2-aminocycloheptyl)sulfanylpropan-1-ol
CID 66127718
methyl 4-(3-methoxy-3-oxopropyl)sulfanylbutanoate
CID 43617617
ethyl 2-(2-aminocycloheptyl)sulfanylacetate
CID 64614372
methyl 3-[2-(ethylamino)cyclooctyl]sulfanylpropanoate
CID 64614983
methyl 7-[(1R,2S,6S)-2-amino-6-hexylcyclohexyl]heptanoate
CID 57160664
methyl 4-(3-hydroxypropylsulfanyl)butanoate
CID 64981507
methyl 3-[2-(propylamino)cycloheptyl]sulfanylpropanoate
CID 64615405

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-aminocyclopentyl)sulfanylbutanoate?
The IUPAC name of methyl 4-(2-aminocyclopentyl)sulfanylbutanoate (CID 155858507) is methyl 4-(2-aminocyclopentyl)sulfanylbutanoate.
What is the SMILES notation for methyl 4-(2-aminocyclopentyl)sulfanylbutanoate?
The canonical SMILES for methyl 4-(2-aminocyclopentyl)sulfanylbutanoate is COC(=O)CCCSC1CCCC1N.
What is the InChIKey of methyl 4-(2-aminocyclopentyl)sulfanylbutanoate?
The InChIKey is HBYNSLNRXKGADE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2S/c1-13-10(12)6-3-7-14-9-5-2-4-8(9)11/h8-9H,2-7,11H2,1H3.
What are the key properties of methyl 4-(2-aminocyclopentyl)sulfanylbutanoate?
methyl 4-(2-aminocyclopentyl)sulfanylbutanoate has a molecular weight of 217.33 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-aminocyclopentyl)sulfanylbutanoate is sourced from PubChem (CID 155858507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).