[(3R)-1-ethylpyrrolidin-3-yl] 2,2-dimethylpropanoate

C11H21NO2 — CID 97355933

IUPAC[(3R)-1-ethylpyrrolidin-3-yl] 2,2-dimethylpropanoate
SMILESCCN1CC[C@@H](OC(=O)C(C)(C)C)C1
InChIInChI=1S/C11H21NO2/c1-5-12-7-6-9(8-12)14-10(13)11(2,3)4/h9H,5-8H2,1-4H3/t9-/m1/s1
InChIKeyNLPNAGJBNHWKQL-SECBINFHSA-N
MW199.29 g/mol
LogP1.67
Rot. Bonds2

About [(3R)-1-ethylpyrrolidin-3-yl] 2,2-dimethylpropanoate

[(3R)-1-ethylpyrrolidin-3-yl] 2,2-dimethylpropanoate (PubChem CID 97355933) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is [(3R)-1-ethylpyrrolidin-3-yl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(3R)-1-ethylpyrrolidin-3-yl] 2,2-dimethylpropanoate
PubChem CID97355933
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name[(3R)-1-ethylpyrrolidin-3-yl] 2,2-dimethylpropanoate
SMILESCCN1CC[C@@H](OC(=O)C(C)(C)C)C1
InChIInChI=1S/C11H21NO2/c1-5-12-7-6-9(8-12)14-10(13)11(2,3)4/h9H,5-8H2,1-4H3/t9-/m1/s1
InChIKeyNLPNAGJBNHWKQL-SECBINFHSA-N
XLogP1.67
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-Acetoxyethylpyrrolidine
CID 98815
Acetylpyrrolidinecholine
CID 6452992
(3S)-1-(2-fluoroethyl)-3-acetoxypyrrolidine
CID 86614898
[1-(2,2,2-Trifluoroethyl)pyrrolidin-3-yl] 2,2-dimethylpropanoate
CID 174922641
Ethyl 3-(4,4-dimethyl-1,3-oxazolidin-3-yl)-2,2-dimethylpropanoate
CID 294819
alpha-Methyl-2-(1-methylethyl)oxazolidine-3-ethyl acetate
CID 89407
Trimethyl-[2-[3-(1-methylpyrrolidin-1-ium-1-yl)propanoyloxy]ethyl]azanium
CID 216717
(3R)-1-(2-Fluoroethyl)-3-pyrrolidinyl acetate
CID 45091176
3,3-Dimethyl-1-(pyrrolidin-1-yl)butan-2-yl acetate
CID 3639386
[(3R)-1-methylpyrrolidin-3-yl] butanoate
CID 10130169
[(3S)-1-methylpyrrolidin-3-yl] butanoate
CID 10130170
(R)-1-Methylpyrrolidin-3-yl pentanoate
CID 10176421

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-ethylpyrrolidin-3-yl] 2,2-dimethylpropanoate?
The IUPAC name of [(3R)-1-ethylpyrrolidin-3-yl] 2,2-dimethylpropanoate (CID 97355933) is [(3R)-1-ethylpyrrolidin-3-yl] 2,2-dimethylpropanoate.
What is the SMILES notation for [(3R)-1-ethylpyrrolidin-3-yl] 2,2-dimethylpropanoate?
The canonical SMILES for [(3R)-1-ethylpyrrolidin-3-yl] 2,2-dimethylpropanoate is CCN1CC[C@@H](OC(=O)C(C)(C)C)C1.
What is the InChIKey of [(3R)-1-ethylpyrrolidin-3-yl] 2,2-dimethylpropanoate?
The InChIKey is NLPNAGJBNHWKQL-SECBINFHSA-N. The full InChI is InChI=1S/C11H21NO2/c1-5-12-7-6-9(8-12)14-10(13)11(2,3)4/h9H,5-8H2,1-4H3/t9-/m1/s1.
What are the key properties of [(3R)-1-ethylpyrrolidin-3-yl] 2,2-dimethylpropanoate?
[(3R)-1-ethylpyrrolidin-3-yl] 2,2-dimethylpropanoate has a molecular weight of 199.29 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-ethylpyrrolidin-3-yl] 2,2-dimethylpropanoate is sourced from PubChem (CID 97355933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).