ethyl 3-methyl-3-pyrrolidin-1-ylpentanoate

C12H23NO2 — CID 64529180

IUPACethyl 3-methyl-3-pyrrolidin-1-ylpentanoate
SMILESCCOC(=O)CC(C)(CC)N1CCCC1
InChIInChI=1S/C12H23NO2/c1-4-12(3,10-11(14)15-5-2)13-8-6-7-9-13/h4-10H2,1-3H3
InChIKeyKEOOSOZGGPRFIY-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.20
Rot. Bonds5

About ethyl 3-methyl-3-pyrrolidin-1-ylpentanoate

ethyl 3-methyl-3-pyrrolidin-1-ylpentanoate (PubChem CID 64529180) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is ethyl 3-methyl-3-pyrrolidin-1-ylpentanoate.

Molecular Properties

Compound Nameethyl 3-methyl-3-pyrrolidin-1-ylpentanoate
PubChem CID64529180
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Nameethyl 3-methyl-3-pyrrolidin-1-ylpentanoate
SMILESCCOC(=O)CC(C)(CC)N1CCCC1
InChIInChI=1S/C12H23NO2/c1-4-12(3,10-11(14)15-5-2)13-8-6-7-9-13/h4-10H2,1-3H3
InChIKeyKEOOSOZGGPRFIY-UHFFFAOYSA-N
XLogP2.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-methyl-3-morpholin-4-ylpentanoate
CID 64528777
ethyl 3-(azepan-1-yl)-3,6-dimethylheptanoate
CID 64527819
ethyl 5-methoxy-3,5-dimethyl-3-morpholin-4-ylhexanoate
CID 64528974
ethyl 5-methyl-3-(2-methylpropyl)-3-piperidin-1-ylhexanoate
CID 114866823
ethyl 3,6-dimethyl-3-(4-methylpiperazin-1-yl)heptanoate
CID 65421872
ethyl 3-(4-chlorophenyl)-3-pyrrolidin-1-ylbutanoate
CID 64527625
ethyl 3-(2,5-dichlorophenyl)-3-pyrrolidin-1-ylbutanoate
CID 64540295
ethyl 3-(4-chlorophenyl)-3-pyrrolidin-1-ylpentanoate
CID 64526458
ethyl 3,3-diphenyl-3-piperidin-1-ylpropanoate
CID 10172125
2-(azocan-1-yl)-2-methylbutan-1-amine
CID 43211839
ethyl 2-amino-3-methyl-3-piperidin-1-ylpentanoate
CID 102538625
ethyl 3,3-dimethylbutanoate;methane
CID 167622566

Frequently Asked Questions

What is the IUPAC name of ethyl 3-methyl-3-pyrrolidin-1-ylpentanoate?
The IUPAC name of ethyl 3-methyl-3-pyrrolidin-1-ylpentanoate (CID 64529180) is ethyl 3-methyl-3-pyrrolidin-1-ylpentanoate.
What is the SMILES notation for ethyl 3-methyl-3-pyrrolidin-1-ylpentanoate?
The canonical SMILES for ethyl 3-methyl-3-pyrrolidin-1-ylpentanoate is CCOC(=O)CC(C)(CC)N1CCCC1.
What is the InChIKey of ethyl 3-methyl-3-pyrrolidin-1-ylpentanoate?
The InChIKey is KEOOSOZGGPRFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-4-12(3,10-11(14)15-5-2)13-8-6-7-9-13/h4-10H2,1-3H3.
What are the key properties of ethyl 3-methyl-3-pyrrolidin-1-ylpentanoate?
ethyl 3-methyl-3-pyrrolidin-1-ylpentanoate has a molecular weight of 213.32 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methyl-3-pyrrolidin-1-ylpentanoate is sourced from PubChem (CID 64529180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).