2-(2-ethyl-1-propan-2-ylpyrrolidin-3-yl)acetic acid

C11H21NO2 — CID 83847942

IUPAC2-(2-ethyl-1-propan-2-ylpyrrolidin-3-yl)acetic acid
SMILESCCC1C(CC(=O)O)CCN1C(C)C
InChIInChI=1S/C11H21NO2/c1-4-10-9(7-11(13)14)5-6-12(10)8(2)3/h8-10H,4-7H2,1-3H3,(H,13,14)
InChIKeyVQYFTFXVADGVGU-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.97
Rot. Bonds4

About 2-(2-ethyl-1-propan-2-ylpyrrolidin-3-yl)acetic acid

2-(2-ethyl-1-propan-2-ylpyrrolidin-3-yl)acetic acid (PubChem CID 83847942) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 2-(2-ethyl-1-propan-2-ylpyrrolidin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(2-ethyl-1-propan-2-ylpyrrolidin-3-yl)acetic acid
PubChem CID83847942
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name2-(2-ethyl-1-propan-2-ylpyrrolidin-3-yl)acetic acid
SMILESCCC1C(CC(=O)O)CCN1C(C)C
InChIInChI=1S/C11H21NO2/c1-4-10-9(7-11(13)14)5-6-12(10)8(2)3/h8-10H,4-7H2,1-3H3,(H,13,14)
InChIKeyVQYFTFXVADGVGU-UHFFFAOYSA-N
XLogP1.97
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 ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-ethyl-1-propan-2-ylpiperidin-3-yl)acetic acid
CID 83849048
(2R,3S)-2-ethyl-1-propan-2-ylpyrrolidine-3-carboxylic acid
CID 82406095
2-(1-cyclopropyl-2-ethylpyrrolidin-3-yl)acetic acid
CID 83847805
2-[(2R,3R)-2-ethyl-1-(2-methylpropyl)piperidin-3-yl]acetic acid
CID 98009847
2-[(2R,3R)-1-methyl-2-(2-methylpropyl)pyrrolidin-3-yl]acetic acid
CID 96620489
2-ethyl-3-(4-methyl-3-methylidenepentyl)-1-propan-2-ylpyrrolidine
CID 155036941
2-ethyl-1-propan-2-ylpiperidine-4-carboxylic acid
CID 54268210
2-[(2R,3S)-1-butan-2-yl-3-hydroxypyrrolidin-2-yl]acetic acid
CID 174164548
(2R,3S)-2-ethyl-3-fluoro-1-propan-2-ylpyrrolidine
CID 146374292
2-[2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]acetic acid
CID 83851665
2-(1-benzyl-2-ethylpiperidin-3-yl)acetic acid
CID 18928668
2-(1-ethyl-3-methylpiperidin-4-yl)acetic acid
CID 22103348

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-1-propan-2-ylpyrrolidin-3-yl)acetic acid?
The IUPAC name of 2-(2-ethyl-1-propan-2-ylpyrrolidin-3-yl)acetic acid (CID 83847942) is 2-(2-ethyl-1-propan-2-ylpyrrolidin-3-yl)acetic acid.
What is the SMILES notation for 2-(2-ethyl-1-propan-2-ylpyrrolidin-3-yl)acetic acid?
The canonical SMILES for 2-(2-ethyl-1-propan-2-ylpyrrolidin-3-yl)acetic acid is CCC1C(CC(=O)O)CCN1C(C)C.
What is the InChIKey of 2-(2-ethyl-1-propan-2-ylpyrrolidin-3-yl)acetic acid?
The InChIKey is VQYFTFXVADGVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-4-10-9(7-11(13)14)5-6-12(10)8(2)3/h8-10H,4-7H2,1-3H3,(H,13,14).
What are the key properties of 2-(2-ethyl-1-propan-2-ylpyrrolidin-3-yl)acetic acid?
2-(2-ethyl-1-propan-2-ylpyrrolidin-3-yl)acetic acid has a molecular weight of 199.29 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-1-propan-2-ylpyrrolidin-3-yl)acetic acid is sourced from PubChem (CID 83847942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).