2-(1-cyclopropyl-2-ethylpyrrolidin-3-yl)acetic acid

C11H19NO2 — CID 83847805

IUPAC2-(1-cyclopropyl-2-ethylpyrrolidin-3-yl)acetic acid
SMILESCCC1C(CC(=O)O)CCN1C1CC1
InChIInChI=1S/C11H19NO2/c1-2-10-8(7-11(13)14)5-6-12(10)9-3-4-9/h8-10H,2-7H2,1H3,(H,13,14)
InChIKeyKOVZXHQGENVHIF-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.72
Rot. Bonds4

About 2-(1-cyclopropyl-2-ethylpyrrolidin-3-yl)acetic acid

2-(1-cyclopropyl-2-ethylpyrrolidin-3-yl)acetic acid (PubChem CID 83847805) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-(1-cyclopropyl-2-ethylpyrrolidin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(1-cyclopropyl-2-ethylpyrrolidin-3-yl)acetic acid
PubChem CID83847805
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name2-(1-cyclopropyl-2-ethylpyrrolidin-3-yl)acetic acid
SMILESCCC1C(CC(=O)O)CCN1C1CC1
InChIInChI=1S/C11H19NO2/c1-2-10-8(7-11(13)14)5-6-12(10)9-3-4-9/h8-10H,2-7H2,1H3,(H,13,14)
InChIKeyKOVZXHQGENVHIF-UHFFFAOYSA-N
XLogP1.72
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2R,3R)-1-cyclopropyl-2-methylpyrrolidin-3-yl]acetic acid
CID 82407111
2-(2-ethyl-1-propan-2-ylpyrrolidin-3-yl)acetic acid
CID 83847942
2-(2-ethyl-1-propan-2-ylpiperidin-3-yl)acetic acid
CID 83849048
2-[(2R,3R)-1-cyclopropyl-2-methylpiperidin-3-yl]acetic acid
CID 96621427
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-[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
2-[(1R,2S)-2-(carboxymethyl)cyclobutyl]acetic acid
CID 11401026
1-cyclopropyl-2-ethyl-4-methylpyrrolidine-3-carboxylic acid
CID 83847808
2-[(2R,3R)-3-(hydroxymethyl)-1-methylpyrrolidin-2-yl]acetic acid
CID 170368031

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropyl-2-ethylpyrrolidin-3-yl)acetic acid?
The IUPAC name of 2-(1-cyclopropyl-2-ethylpyrrolidin-3-yl)acetic acid (CID 83847805) is 2-(1-cyclopropyl-2-ethylpyrrolidin-3-yl)acetic acid.
What is the SMILES notation for 2-(1-cyclopropyl-2-ethylpyrrolidin-3-yl)acetic acid?
The canonical SMILES for 2-(1-cyclopropyl-2-ethylpyrrolidin-3-yl)acetic acid is CCC1C(CC(=O)O)CCN1C1CC1.
What is the InChIKey of 2-(1-cyclopropyl-2-ethylpyrrolidin-3-yl)acetic acid?
The InChIKey is KOVZXHQGENVHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-2-10-8(7-11(13)14)5-6-12(10)9-3-4-9/h8-10H,2-7H2,1H3,(H,13,14).
What are the key properties of 2-(1-cyclopropyl-2-ethylpyrrolidin-3-yl)acetic acid?
2-(1-cyclopropyl-2-ethylpyrrolidin-3-yl)acetic acid has a molecular weight of 197.28 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropyl-2-ethylpyrrolidin-3-yl)acetic acid is sourced from PubChem (CID 83847805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).