2-(2-ethyl-5-methylpyrrolidin-1-yl)butanoic acid

C11H21NO2 — CID 83219071

IUPAC2-(2-ethyl-5-methylpyrrolidin-1-yl)butanoic acid
SMILESCCC1CCC(C)N1C(CC)C(=O)O
InChIInChI=1S/C11H21NO2/c1-4-9-7-6-8(3)12(9)10(5-2)11(13)14/h8-10H,4-7H2,1-3H3,(H,13,14)
InChIKeyILGCHPZVPOGGEK-UHFFFAOYSA-N
MW199.29 g/mol
LogP2.11
Rot. Bonds4

About 2-(2-ethyl-5-methylpyrrolidin-1-yl)butanoic acid

2-(2-ethyl-5-methylpyrrolidin-1-yl)butanoic acid (PubChem CID 83219071) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 2-(2-ethyl-5-methylpyrrolidin-1-yl)butanoic acid.

Molecular Properties

Compound Name2-(2-ethyl-5-methylpyrrolidin-1-yl)butanoic acid
PubChem CID83219071
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name2-(2-ethyl-5-methylpyrrolidin-1-yl)butanoic acid
SMILESCCC1CCC(C)N1C(CC)C(=O)O
InChIInChI=1S/C11H21NO2/c1-4-9-7-6-8(3)12(9)10(5-2)11(13)14/h8-10H,4-7H2,1-3H3,(H,13,14)
InChIKeyILGCHPZVPOGGEK-UHFFFAOYSA-N
XLogP2.11
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-phenylbutan-1-one
CID 83219274
2-(2-ethyl-5-methylpyrrolidin-1-yl)-N'-hydroxybutanimidamide
CID 83227306
2-(2-ethyl-5-methylpyrrolidin-1-yl)-2-phenylacetic acid
CID 83220867
2-(2-ethyl-5-methylpyrrolidin-1-yl)propanehydrazide
CID 83223630
3-(2-ethyl-5-methylpyrrolidin-1-yl)heptan-4-ol
CID 83221502
4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methyl-2-(methylamino)pentanoic acid
CID 83221517
2-amino-4-(2-ethyl-5-methylpyrrolidin-1-yl)butanoic acid
CID 83221433
2-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 83218784
(2R)-1-(2-ethyl-5-methylpyrrolidin-1-yl)-2-hydroxypropan-1-one
CID 131155812
2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-3,3,3-trifluoropropanoic acid
CID 83219079
(2R)-2-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]butanedioic acid
CID 83220541
2-(2-ethyl-5-methylpyrrolidin-1-yl)-N-(2-methylpropyl)butan-1-amine
CID 83221715

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-5-methylpyrrolidin-1-yl)butanoic acid?
The IUPAC name of 2-(2-ethyl-5-methylpyrrolidin-1-yl)butanoic acid (CID 83219071) is 2-(2-ethyl-5-methylpyrrolidin-1-yl)butanoic acid.
What is the SMILES notation for 2-(2-ethyl-5-methylpyrrolidin-1-yl)butanoic acid?
The canonical SMILES for 2-(2-ethyl-5-methylpyrrolidin-1-yl)butanoic acid is CCC1CCC(C)N1C(CC)C(=O)O.
What is the InChIKey of 2-(2-ethyl-5-methylpyrrolidin-1-yl)butanoic acid?
The InChIKey is ILGCHPZVPOGGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-4-9-7-6-8(3)12(9)10(5-2)11(13)14/h8-10H,4-7H2,1-3H3,(H,13,14).
What are the key properties of 2-(2-ethyl-5-methylpyrrolidin-1-yl)butanoic acid?
2-(2-ethyl-5-methylpyrrolidin-1-yl)butanoic acid has a molecular weight of 199.29 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-5-methylpyrrolidin-1-yl)butanoic acid is sourced from PubChem (CID 83219071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).