2-[(3-piperidin-1-ylpyrrolidine-1-carbonyl)-propylamino]acetic acid

C15H27N3O3 — CID 63548318

IUPAC2-[(3-piperidin-1-ylpyrrolidine-1-carbonyl)-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)N1CCC(N2CCCCC2)C1
InChIInChI=1S/C15H27N3O3/c1-2-7-17(12-14(19)20)15(21)18-10-6-13(11-18)16-8-4-3-5-9-16/h13H,2-12H2,1H3,(H,19,20)
InChIKeyDDCCDZPWEGGSLE-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.46
Rot. Bonds5

About 2-[(3-piperidin-1-ylpyrrolidine-1-carbonyl)-propylamino]acetic acid

2-[(3-piperidin-1-ylpyrrolidine-1-carbonyl)-propylamino]acetic acid (PubChem CID 63548318) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-[(3-piperidin-1-ylpyrrolidine-1-carbonyl)-propylamino]acetic acid.

Molecular Properties

Compound Name2-[(3-piperidin-1-ylpyrrolidine-1-carbonyl)-propylamino]acetic acid
PubChem CID63548318
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name2-[(3-piperidin-1-ylpyrrolidine-1-carbonyl)-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)N1CCC(N2CCCCC2)C1
InChIInChI=1S/C15H27N3O3/c1-2-7-17(12-14(19)20)15(21)18-10-6-13(11-18)16-8-4-3-5-9-16/h13H,2-12H2,1H3,(H,19,20)
InChIKeyDDCCDZPWEGGSLE-UHFFFAOYSA-N
XLogP1.46
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(3-piperidin-1-ylpyrrolidine-1-carbonyl)-propylamino]acetic 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

2-[prop-2-enyl-(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]acetic acid
CID 79284954
2-[(3-hydroxypyrrolidine-1-carbonyl)-propylamino]acetic acid
CID 62944013
3-[methyl-(3-piperidin-1-ylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 63548492
2-[[1-(diethylcarbamoyl)piperidine-3-carbonyl]-propylamino]acetic acid
CID 75383592
2-[[1-(dimethylcarbamoyl)piperidine-3-carbonyl]-propylamino]acetic acid
CID 61013155
2-[methyl-(4-piperidin-1-ylpiperidine-1-carbonyl)amino]acetic acid
CID 61243166
2-(dimethylamino)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanone
CID 110479818
(3R)-1-(dipropylcarbamoyl)piperidine-3-carboxylic acid
CID 28512445
2-[(2-ethylmorpholine-4-carbonyl)-propylamino]acetic acid
CID 61203406
2-[(3,4-dimethoxypyrrolidine-1-carbonyl)-propylamino]acetic acid
CID 103536356
2-[(1-carbamoylpiperidine-3-carbonyl)-propylamino]acetic acid
CID 61007347
2-[carboxymethyl-(3-propylpyrrolidine-1-carbonyl)amino]acetic acid
CID 113418333

Frequently Asked Questions

What is the IUPAC name of 2-[(3-piperidin-1-ylpyrrolidine-1-carbonyl)-propylamino]acetic acid?
The IUPAC name of 2-[(3-piperidin-1-ylpyrrolidine-1-carbonyl)-propylamino]acetic acid (CID 63548318) is 2-[(3-piperidin-1-ylpyrrolidine-1-carbonyl)-propylamino]acetic acid.
What is the SMILES notation for 2-[(3-piperidin-1-ylpyrrolidine-1-carbonyl)-propylamino]acetic acid?
The canonical SMILES for 2-[(3-piperidin-1-ylpyrrolidine-1-carbonyl)-propylamino]acetic acid is CCCN(CC(=O)O)C(=O)N1CCC(N2CCCCC2)C1.
What is the InChIKey of 2-[(3-piperidin-1-ylpyrrolidine-1-carbonyl)-propylamino]acetic acid?
The InChIKey is DDCCDZPWEGGSLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-2-7-17(12-14(19)20)15(21)18-10-6-13(11-18)16-8-4-3-5-9-16/h13H,2-12H2,1H3,(H,19,20).
What are the key properties of 2-[(3-piperidin-1-ylpyrrolidine-1-carbonyl)-propylamino]acetic acid?
2-[(3-piperidin-1-ylpyrrolidine-1-carbonyl)-propylamino]acetic acid has a molecular weight of 297.40 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-piperidin-1-ylpyrrolidine-1-carbonyl)-propylamino]acetic acid is sourced from PubChem (CID 63548318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).