2-(3-ethyl-4-methylpyrrolidin-1-yl)-2-methylpropanoic acid

C11H21NO2 — CID 21341206

IUPAC2-(3-ethyl-4-methylpyrrolidin-1-yl)-2-methylpropanoic acid
SMILESCCC1CN(C(C)(C)C(=O)O)CC1C
InChIInChI=1S/C11H21NO2/c1-5-9-7-12(6-8(9)2)11(3,4)10(13)14/h8-9H,5-7H2,1-4H3,(H,13,14)
InChIKeyFENBIGSAIZRBRB-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.83
Rot. Bonds3

About 2-(3-ethyl-4-methylpyrrolidin-1-yl)-2-methylpropanoic acid

2-(3-ethyl-4-methylpyrrolidin-1-yl)-2-methylpropanoic acid (PubChem CID 21341206) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 2-(3-ethyl-4-methylpyrrolidin-1-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(3-ethyl-4-methylpyrrolidin-1-yl)-2-methylpropanoic acid
PubChem CID21341206
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name2-(3-ethyl-4-methylpyrrolidin-1-yl)-2-methylpropanoic acid
SMILESCCC1CN(C(C)(C)C(=O)O)CC1C
InChIInChI=1S/C11H21NO2/c1-5-9-7-12(6-8(9)2)11(3,4)10(13)14/h8-9H,5-7H2,1-4H3,(H,13,14)
InChIKeyFENBIGSAIZRBRB-UHFFFAOYSA-N
XLogP1.83
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-ethylazetidin-1-yl)-2-methylpropanoic acid
CID 79695047
2-methyl-2-(3-propylazetidin-1-yl)propanoic acid
CID 79695153
(3R,4S)-3-ethyl-4-methylpyrrolidine-1-carboxamide
CID 95049046
4-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
CID 58557112
(3S)-3-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
CID 156875278
(3R,4R)-4-(aminomethyl)-3-methylpiperidine-1-carboxylic acid
CID 70462326
2-methyl-2-pyrrolidin-1-ylpropanoic acid
CID 22311931
2-methyl-2-(3-propylazetidin-1-yl)butanoic acid
CID 79801474
[4-methyl-1-(3-methylhexan-3-yl)pyrrolidin-3-yl]methanamine
CID 155370662
tert-butyl (3S,4S)-3-ethyl-4-hydroxypyrrolidine-1-carboxylate
CID 59842033
(1-butanoyl-4-methylpyrrolidin-3-yl)methanesulfonamide
CID 165465950
2-[ethyl-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]-2-methylpropanoic acid
CID 63859529

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-4-methylpyrrolidin-1-yl)-2-methylpropanoic acid?
The IUPAC name of 2-(3-ethyl-4-methylpyrrolidin-1-yl)-2-methylpropanoic acid (CID 21341206) is 2-(3-ethyl-4-methylpyrrolidin-1-yl)-2-methylpropanoic acid.
What is the SMILES notation for 2-(3-ethyl-4-methylpyrrolidin-1-yl)-2-methylpropanoic acid?
The canonical SMILES for 2-(3-ethyl-4-methylpyrrolidin-1-yl)-2-methylpropanoic acid is CCC1CN(C(C)(C)C(=O)O)CC1C.
What is the InChIKey of 2-(3-ethyl-4-methylpyrrolidin-1-yl)-2-methylpropanoic acid?
The InChIKey is FENBIGSAIZRBRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-5-9-7-12(6-8(9)2)11(3,4)10(13)14/h8-9H,5-7H2,1-4H3,(H,13,14).
What are the key properties of 2-(3-ethyl-4-methylpyrrolidin-1-yl)-2-methylpropanoic acid?
2-(3-ethyl-4-methylpyrrolidin-1-yl)-2-methylpropanoic acid has a molecular weight of 199.29 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-4-methylpyrrolidin-1-yl)-2-methylpropanoic acid is sourced from PubChem (CID 21341206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).