3-ethyl-1-(3-methylbenzoyl)pyrrolidine-3-carboxylic acid

C15H19NO3 — CID 63146415

IUPAC3-ethyl-1-(3-methylbenzoyl)pyrrolidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)c2cccc(C)c2)C1
InChIInChI=1S/C15H19NO3/c1-3-15(14(18)19)7-8-16(10-15)13(17)12-6-4-5-11(2)9-12/h4-6,9H,3,7-8,10H2,1-2H3,(H,18,19)
InChIKeyWXALQHOHCUPZBE-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.32
Rot. Bonds3

About 3-ethyl-1-(3-methylbenzoyl)pyrrolidine-3-carboxylic acid

3-ethyl-1-(3-methylbenzoyl)pyrrolidine-3-carboxylic acid (PubChem CID 63146415) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 3-ethyl-1-(3-methylbenzoyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-1-(3-methylbenzoyl)pyrrolidine-3-carboxylic acid
PubChem CID63146415
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name3-ethyl-1-(3-methylbenzoyl)pyrrolidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)c2cccc(C)c2)C1
InChIInChI=1S/C15H19NO3/c1-3-15(14(18)19)7-8-16(10-15)13(17)12-6-4-5-11(2)9-12/h4-6,9H,3,7-8,10H2,1-2H3,(H,18,19)
InChIKeyWXALQHOHCUPZBE-UHFFFAOYSA-N
XLogP2.32
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(dimethylamino)benzoyl]-3-ethylpyrrolidine-3-carboxylic acid
CID 63144613
3-ethyl-1-(4-hydroxy-3-methylbenzoyl)pyrrolidine-3-carboxylic acid
CID 107674875
1-(3-chlorobenzoyl)-4-ethylpiperidine-4-carboxylic acid
CID 63124878
1-(3-chlorobenzoyl)-3-ethylpiperidine-3-carboxylic acid
CID 63134559
1-(3,5-dimethylbenzoyl)-3-ethylpiperidine-3-carboxylic acid
CID 63134169
1-(3-chloro-4-fluorobenzoyl)-3-ethylpyrrolidine-3-carboxylic acid
CID 82875281
1-(4-amino-3-fluorobenzoyl)-3-ethylpyrrolidine-3-carboxylic acid
CID 63188937
3-ethyl-1-(4-propan-2-ylbenzoyl)pyrrolidine-3-carboxylic acid
CID 63146683
3-ethyl-1-(3-morpholin-4-ylbenzoyl)piperidine-3-carboxylic acid
CID 72939313
(3R)-3-ethyl-1-[3-(5-methylfuran-2-yl)benzoyl]piperidine-3-carboxylic acid
CID 97113556
4-ethyl-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxylic acid
CID 63125200
3-ethyl-1-(2-fluorobenzoyl)pyrrolidine-3-carboxylic acid
CID 63146811

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(3-methylbenzoyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-ethyl-1-(3-methylbenzoyl)pyrrolidine-3-carboxylic acid (CID 63146415) is 3-ethyl-1-(3-methylbenzoyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-ethyl-1-(3-methylbenzoyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-ethyl-1-(3-methylbenzoyl)pyrrolidine-3-carboxylic acid is CCC1(C(=O)O)CCN(C(=O)c2cccc(C)c2)C1.
What is the InChIKey of 3-ethyl-1-(3-methylbenzoyl)pyrrolidine-3-carboxylic acid?
The InChIKey is WXALQHOHCUPZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-3-15(14(18)19)7-8-16(10-15)13(17)12-6-4-5-11(2)9-12/h4-6,9H,3,7-8,10H2,1-2H3,(H,18,19).
What are the key properties of 3-ethyl-1-(3-methylbenzoyl)pyrrolidine-3-carboxylic acid?
3-ethyl-1-(3-methylbenzoyl)pyrrolidine-3-carboxylic acid has a molecular weight of 261.32 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(3-methylbenzoyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63146415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).