3-ethyl-1-(3-methoxy-4-methylpiperidine-1-carbonyl)pyrrolidine-3-carboxylic acid

C15H26N2O4 — CID 102962502

IUPAC3-ethyl-1-(3-methoxy-4-methylpiperidine-1-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)N2CCC(C)C(OC)C2)C1
InChIInChI=1S/C15H26N2O4/c1-4-15(13(18)19)6-8-17(10-15)14(20)16-7-5-11(2)12(9-16)21-3/h11-12H,4-10H2,1-3H3,(H,18,19)
InChIKeyYLTULJAWOREXRQ-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.65
Rot. Bonds3

About 3-ethyl-1-(3-methoxy-4-methylpiperidine-1-carbonyl)pyrrolidine-3-carboxylic acid

3-ethyl-1-(3-methoxy-4-methylpiperidine-1-carbonyl)pyrrolidine-3-carboxylic acid (PubChem CID 102962502) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 3-ethyl-1-(3-methoxy-4-methylpiperidine-1-carbonyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-1-(3-methoxy-4-methylpiperidine-1-carbonyl)pyrrolidine-3-carboxylic acid
PubChem CID102962502
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name3-ethyl-1-(3-methoxy-4-methylpiperidine-1-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)N2CCC(C)C(OC)C2)C1
InChIInChI=1S/C15H26N2O4/c1-4-15(13(18)19)6-8-17(10-15)14(20)16-7-5-11(2)12(9-16)21-3/h11-12H,4-10H2,1-3H3,(H,18,19)
InChIKeyYLTULJAWOREXRQ-UHFFFAOYSA-N
XLogP1.65
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-ethyl-1-(3-methoxy-4-methylpiperidine-1-carbonyl)pyrrolidine-3-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-ethyl-1-[3-(methoxymethyl)piperidine-1-carbonyl]pyrrolidine-3-carboxylic acid
CID 106588062
3-ethyl-1-(2-methylmorpholine-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 63145950
3-ethyl-1-[2-(hydroxymethyl)morpholine-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 81204424
3-ethyl-1-(thiomorpholine-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 63146066
(3R)-1-(3-methoxy-4-methylpiperidine-1-carbonyl)piperidine-3-carboxylic acid
CID 102962808
1-(3,5-dimethylpiperidine-1-carbonyl)-3-ethylpiperidine-3-carboxylic acid
CID 63135824
1-[3-(dimethylamino)pyrrolidine-1-carbonyl]-4-ethylpiperidine-4-carboxylic acid
CID 63548476
1-(2,4-dimethylpiperidine-1-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid
CID 63147979
1-[3-(aminomethyl)pyrrolidine-1-carbonyl]-4-ethylpiperidine-4-carboxylic acid
CID 63127514
1-(3,5-dioxopiperazine-1-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid
CID 66063186
2-(1-aminocyclohexyl)-1-(3-methoxy-4-methylpiperidin-1-yl)ethanone
CID 102957332
1-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]-3-propylpyrrolidine-3-carboxylic acid
CID 102783127

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(3-methoxy-4-methylpiperidine-1-carbonyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-ethyl-1-(3-methoxy-4-methylpiperidine-1-carbonyl)pyrrolidine-3-carboxylic acid (CID 102962502) is 3-ethyl-1-(3-methoxy-4-methylpiperidine-1-carbonyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-ethyl-1-(3-methoxy-4-methylpiperidine-1-carbonyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-ethyl-1-(3-methoxy-4-methylpiperidine-1-carbonyl)pyrrolidine-3-carboxylic acid is CCC1(C(=O)O)CCN(C(=O)N2CCC(C)C(OC)C2)C1.
What is the InChIKey of 3-ethyl-1-(3-methoxy-4-methylpiperidine-1-carbonyl)pyrrolidine-3-carboxylic acid?
The InChIKey is YLTULJAWOREXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-4-15(13(18)19)6-8-17(10-15)14(20)16-7-5-11(2)12(9-16)21-3/h11-12H,4-10H2,1-3H3,(H,18,19).
What are the key properties of 3-ethyl-1-(3-methoxy-4-methylpiperidine-1-carbonyl)pyrrolidine-3-carboxylic acid?
3-ethyl-1-(3-methoxy-4-methylpiperidine-1-carbonyl)pyrrolidine-3-carboxylic acid has a molecular weight of 298.38 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(3-methoxy-4-methylpiperidine-1-carbonyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 102962502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).