3-[1-(4-ethylpiperidine-2-carbonyl)pyrrolidin-3-yl]propanoic acid

C15H26N2O3 — CID 114429367

IUPAC3-[1-(4-ethylpiperidine-2-carbonyl)pyrrolidin-3-yl]propanoic acid
SMILESCCC1CCNC(C(=O)N2CCC(CCC(=O)O)C2)C1
InChIInChI=1S/C15H26N2O3/c1-2-11-5-7-16-13(9-11)15(20)17-8-6-12(10-17)3-4-14(18)19/h11-13,16H,2-10H2,1H3,(H,18,19)
InChIKeyCFPFUYVVJSYVOR-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.48
Rot. Bonds5

About 3-[1-(4-ethylpiperidine-2-carbonyl)pyrrolidin-3-yl]propanoic acid

3-[1-(4-ethylpiperidine-2-carbonyl)pyrrolidin-3-yl]propanoic acid (PubChem CID 114429367) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 3-[1-(4-ethylpiperidine-2-carbonyl)pyrrolidin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(4-ethylpiperidine-2-carbonyl)pyrrolidin-3-yl]propanoic acid
PubChem CID114429367
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name3-[1-(4-ethylpiperidine-2-carbonyl)pyrrolidin-3-yl]propanoic acid
SMILESCCC1CCNC(C(=O)N2CCC(CCC(=O)O)C2)C1
InChIInChI=1S/C15H26N2O3/c1-2-11-5-7-16-13(9-11)15(20)17-8-6-12(10-17)3-4-14(18)19/h11-13,16H,2-10H2,1H3,(H,18,19)
InChIKeyCFPFUYVVJSYVOR-UHFFFAOYSA-N
XLogP1.48
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[1-(4-ethylpiperidine-2-carbonyl)pyrrolidin-3-yl]propanoic 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-[1-(4-methylpiperidine-2-carbonyl)pyrrolidin-3-yl]propanoic acid
CID 115867224
(4-tert-butylpiperidin-1-yl)-(4-ethylpiperidin-2-yl)methanone
CID 114428893
(4-ethylpiperidin-2-yl)-(2-ethylthiomorpholin-4-yl)methanone
CID 114429590
N-[1-(4-ethylpiperidine-2-carbonyl)piperidin-4-yl]acetamide
CID 114429479
(4-tert-butylpiperazin-1-yl)-(4-ethylpiperidin-2-yl)methanone
CID 114428788
4-ethyl-1-(4-ethylpiperidine-2-carbonyl)piperidine-4-carboxylic acid
CID 114428986
N-[1-(4-ethylpiperidine-2-carbonyl)piperidin-3-yl]acetamide
CID 114428489
1-(4-ethylpiperidine-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 114428989
(3-ethylpyrrolidin-1-yl)-morpholin-3-ylmethanone
CID 115740814
[3-(hydroxymethyl)pyrrolidin-1-yl]-(4-methylpiperidin-2-yl)methanone
CID 114424447
3-azaspiro[5.5]undecan-3-yl-(4-ethylpiperidin-2-yl)methanone
CID 114428966
3-[1-(3-methylpyrrolidine-2-carbonyl)piperidin-3-yl]propanoic acid
CID 102779251

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-ethylpiperidine-2-carbonyl)pyrrolidin-3-yl]propanoic acid?
The IUPAC name of 3-[1-(4-ethylpiperidine-2-carbonyl)pyrrolidin-3-yl]propanoic acid (CID 114429367) is 3-[1-(4-ethylpiperidine-2-carbonyl)pyrrolidin-3-yl]propanoic acid.
What is the SMILES notation for 3-[1-(4-ethylpiperidine-2-carbonyl)pyrrolidin-3-yl]propanoic acid?
The canonical SMILES for 3-[1-(4-ethylpiperidine-2-carbonyl)pyrrolidin-3-yl]propanoic acid is CCC1CCNC(C(=O)N2CCC(CCC(=O)O)C2)C1.
What is the InChIKey of 3-[1-(4-ethylpiperidine-2-carbonyl)pyrrolidin-3-yl]propanoic acid?
The InChIKey is CFPFUYVVJSYVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-2-11-5-7-16-13(9-11)15(20)17-8-6-12(10-17)3-4-14(18)19/h11-13,16H,2-10H2,1H3,(H,18,19).
What are the key properties of 3-[1-(4-ethylpiperidine-2-carbonyl)pyrrolidin-3-yl]propanoic acid?
3-[1-(4-ethylpiperidine-2-carbonyl)pyrrolidin-3-yl]propanoic acid has a molecular weight of 282.38 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-ethylpiperidine-2-carbonyl)pyrrolidin-3-yl]propanoic acid is sourced from PubChem (CID 114429367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).