1-(3-ethylpiperidine-3-carbonyl)-3-methylpyrrolidine-2-carboxylic acid

C14H24N2O3 — CID 102780244

IUPAC1-(3-ethylpiperidine-3-carbonyl)-3-methylpyrrolidine-2-carboxylic acid
SMILESCCC1(C(=O)N2CCC(C)C2C(=O)O)CCCNC1
InChIInChI=1S/C14H24N2O3/c1-3-14(6-4-7-15-9-14)13(19)16-8-5-10(2)11(16)12(17)18/h10-11,15H,3-9H2,1-2H3,(H,17,18)
InChIKeyGBWGGJMHGCYRIT-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.09
Rot. Bonds3

About 1-(3-ethylpiperidine-3-carbonyl)-3-methylpyrrolidine-2-carboxylic acid

1-(3-ethylpiperidine-3-carbonyl)-3-methylpyrrolidine-2-carboxylic acid (PubChem CID 102780244) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-(3-ethylpiperidine-3-carbonyl)-3-methylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(3-ethylpiperidine-3-carbonyl)-3-methylpyrrolidine-2-carboxylic acid
PubChem CID102780244
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name1-(3-ethylpiperidine-3-carbonyl)-3-methylpyrrolidine-2-carboxylic acid
SMILESCCC1(C(=O)N2CCC(C)C2C(=O)O)CCCNC1
InChIInChI=1S/C14H24N2O3/c1-3-14(6-4-7-15-9-14)13(19)16-8-5-10(2)11(16)12(17)18/h10-11,15H,3-9H2,1-2H3,(H,17,18)
InChIKeyGBWGGJMHGCYRIT-UHFFFAOYSA-N
XLogP1.09
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(3-ethylpiperidine-3-carbonyl)-3-methylpyrrolidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-ethylpiperidin-3-yl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
CID 102780497
1-(3-ethylpiperidine-3-carbonyl)-2-methylpiperidine-4-carboxylic acid
CID 106742943
(3-ethylpiperidin-3-yl)-(2-propylpiperidin-1-yl)methanone
CID 83052876
(3-ethylpiperidin-3-yl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 102883218
(2S)-1-(3-ethylpyrrolidine-3-carbonyl)piperidine-2-carboxylic acid
CID 66264088
azocan-1-yl-(3-ethylpiperidin-3-yl)methanone
CID 55179345
3-methyl-1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 102780404
1-(3-ethylpiperidine-3-carbonyl)-6-methylpiperidine-3-carboxamide
CID 63131944
(2,5-dimethylmorpholin-4-yl)-(3-ethylpiperidin-3-yl)methanone
CID 63130536
(4-cyclopentylpiperazin-1-yl)-(3-ethylpiperidin-3-yl)methanone
CID 63133034
(3-ethylpiperidin-3-yl)-(4-propylpiperidin-1-yl)methanone
CID 63135150
1-[(1-ethylcyclobutyl)methylcarbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 114108811

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylpiperidine-3-carbonyl)-3-methylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(3-ethylpiperidine-3-carbonyl)-3-methylpyrrolidine-2-carboxylic acid (CID 102780244) is 1-(3-ethylpiperidine-3-carbonyl)-3-methylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(3-ethylpiperidine-3-carbonyl)-3-methylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(3-ethylpiperidine-3-carbonyl)-3-methylpyrrolidine-2-carboxylic acid is CCC1(C(=O)N2CCC(C)C2C(=O)O)CCCNC1.
What is the InChIKey of 1-(3-ethylpiperidine-3-carbonyl)-3-methylpyrrolidine-2-carboxylic acid?
The InChIKey is GBWGGJMHGCYRIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-3-14(6-4-7-15-9-14)13(19)16-8-5-10(2)11(16)12(17)18/h10-11,15H,3-9H2,1-2H3,(H,17,18).
What are the key properties of 1-(3-ethylpiperidine-3-carbonyl)-3-methylpyrrolidine-2-carboxylic acid?
1-(3-ethylpiperidine-3-carbonyl)-3-methylpyrrolidine-2-carboxylic acid has a molecular weight of 268.36 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylpiperidine-3-carbonyl)-3-methylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 102780244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).