ethyl 6-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]hexanoate

C17H31NO3 — CID 114339082

IUPACethyl 6-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]hexanoate
SMILESCCOC(=O)CCCCCN1CCCC1C1CCCC1O
InChIInChI=1S/C17H31NO3/c1-2-21-17(20)11-4-3-5-12-18-13-7-9-15(18)14-8-6-10-16(14)19/h14-16,19H,2-13H2,1H3
InChIKeyFUDCHPBPDUTCHS-UHFFFAOYSA-N
MW297.44 g/mol
LogP2.74
Rot. Bonds8

About ethyl 6-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]hexanoate

ethyl 6-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]hexanoate (PubChem CID 114339082) has the molecular formula C17H31NO3 and a molecular weight of 297.44 g/mol. Its IUPAC name is ethyl 6-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]hexanoate.

Molecular Properties

Compound Nameethyl 6-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]hexanoate
PubChem CID114339082
Molecular FormulaC17H31NO3
Molecular Weight297.44 g/mol
Exact Mass297.23
IUPAC Nameethyl 6-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]hexanoate
SMILESCCOC(=O)CCCCCN1CCCC1C1CCCC1O
InChIInChI=1S/C17H31NO3/c1-2-21-17(20)11-4-3-5-12-18-13-7-9-15(18)14-8-6-10-16(14)19/h14-16,19H,2-13H2,1H3
InChIKeyFUDCHPBPDUTCHS-UHFFFAOYSA-N
XLogP2.74
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl 6-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]hexanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-octylpiperidin-2-yl)cyclohexan-1-ol
CID 114339769
ethyl 6-(5-oxo-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl)hexanoate
CID 103196686
3-[2-(2-hydroxycyclopentyl)piperidin-1-yl]-N,N-dimethylpropanamide
CID 114340046
1-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]octan-1-one
CID 79539770
ethyl 6-(2-propylpiperidin-1-yl)hexanoate
CID 83055887
2-[1-(3-methylsulfonylpropyl)pyrrolidin-2-yl]cyclohexan-1-ol
CID 114339524
2-[1-(3-methylsulfanylpropyl)pyrrolidin-2-yl]cyclohexan-1-ol
CID 114339633
ethyl 6-[2-(2-hydroxypropyl)piperidin-1-yl]hexanoate
CID 114337967
ethyl 6-[2-(2-oxopropyl)azepan-1-yl]hexanoate
CID 79540569
ethyl 2-[2-(2-hydroxycyclopentyl)piperidin-1-yl]sulfonylacetate
CID 79535733
2-ethoxy-1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]ethanone
CID 79544158
N-butyl-2-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]acetamide
CID 114339149

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]hexanoate?
The IUPAC name of ethyl 6-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]hexanoate (CID 114339082) is ethyl 6-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]hexanoate.
What is the SMILES notation for ethyl 6-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]hexanoate?
The canonical SMILES for ethyl 6-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]hexanoate is CCOC(=O)CCCCCN1CCCC1C1CCCC1O.
What is the InChIKey of ethyl 6-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]hexanoate?
The InChIKey is FUDCHPBPDUTCHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO3/c1-2-21-17(20)11-4-3-5-12-18-13-7-9-15(18)14-8-6-10-16(14)19/h14-16,19H,2-13H2,1H3.
What are the key properties of ethyl 6-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]hexanoate?
ethyl 6-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]hexanoate has a molecular weight of 297.44 g/mol, XLogP of 2.74, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]hexanoate is sourced from PubChem (CID 114339082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).