1-cyclopropyl-2-ethyl-4-methylpyrrolidine-3-carboxylic acid

C11H19NO2 — CID 83847808

IUPAC1-cyclopropyl-2-ethyl-4-methylpyrrolidine-3-carboxylic acid
SMILESCCC1C(C(=O)O)C(C)CN1C1CC1
InChIInChI=1S/C11H19NO2/c1-3-9-10(11(13)14)7(2)6-12(9)8-4-5-8/h7-10H,3-6H2,1-2H3,(H,13,14)
InChIKeyLAWPVYQLMCEXRC-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.58
Rot. Bonds3

About 1-cyclopropyl-2-ethyl-4-methylpyrrolidine-3-carboxylic acid

1-cyclopropyl-2-ethyl-4-methylpyrrolidine-3-carboxylic acid (PubChem CID 83847808) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-cyclopropyl-2-ethyl-4-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-cyclopropyl-2-ethyl-4-methylpyrrolidine-3-carboxylic acid
PubChem CID83847808
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name1-cyclopropyl-2-ethyl-4-methylpyrrolidine-3-carboxylic acid
SMILESCCC1C(C(=O)O)C(C)CN1C1CC1
InChIInChI=1S/C11H19NO2/c1-3-9-10(11(13)14)7(2)6-12(9)8-4-5-8/h7-10H,3-6H2,1-2H3,(H,13,14)
InChIKeyLAWPVYQLMCEXRC-UHFFFAOYSA-N
XLogP1.58
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-cyclopropyl-2-ethylpyrrolidin-3-yl)acetic acid
CID 83847805
(2S)-2,5-dimethylcyclopentane-1-carboxylic acid
CID 55301029
3,6-dimethylcyclohexane-1,2-dicarboxylic acid
CID 18356822
3-(3-ethylazetidin-1-yl)cyclopentane-1-carboxylic acid
CID 79689061
(2R,3S)-2-ethyl-1-propan-2-ylpyrrolidine-3-carboxylic acid
CID 82406095
1-cyclopropyl-2-methylpyrrolidine-3-carboxylic acid
CID 83816133
4-(3-ethylazetidin-1-yl)cyclohexane-1-carboxylic acid
CID 79694621
5-ethyl-1-methyl-4-(methylamino)pyrrolidine-3-carboxylic acid
CID 83847027
1-cyclopropyl-3-methylpiperidine-4-carboxylic acid
CID 83846866
(2R,3R)-3-ethylbicyclo[2.2.2]octane-2-carboxylic acid
CID 130834786
2-ethyl-1-methyl-5-oxopyrrolidine-3-carboxylic acid
CID 83682880
(2R,3R)-2-ethyl-1-methyl-5-oxopyrrolidine-3-carboxylic acid
CID 124510159

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-ethyl-4-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-cyclopropyl-2-ethyl-4-methylpyrrolidine-3-carboxylic acid (CID 83847808) is 1-cyclopropyl-2-ethyl-4-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-cyclopropyl-2-ethyl-4-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-cyclopropyl-2-ethyl-4-methylpyrrolidine-3-carboxylic acid is CCC1C(C(=O)O)C(C)CN1C1CC1.
What is the InChIKey of 1-cyclopropyl-2-ethyl-4-methylpyrrolidine-3-carboxylic acid?
The InChIKey is LAWPVYQLMCEXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-3-9-10(11(13)14)7(2)6-12(9)8-4-5-8/h7-10H,3-6H2,1-2H3,(H,13,14).
What are the key properties of 1-cyclopropyl-2-ethyl-4-methylpyrrolidine-3-carboxylic acid?
1-cyclopropyl-2-ethyl-4-methylpyrrolidine-3-carboxylic acid has a molecular weight of 197.28 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-ethyl-4-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 83847808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).