2-[1-[(1-methylpyrrolidin-3-yl)carbamoyl]piperidin-2-yl]acetic acid

C13H23N3O3 — CID 61465499

IUPAC2-[1-[(1-methylpyrrolidin-3-yl)carbamoyl]piperidin-2-yl]acetic acid
SMILESCN1CCC(NC(=O)N2CCCCC2CC(=O)O)C1
InChIInChI=1S/C13H23N3O3/c1-15-7-5-10(9-15)14-13(19)16-6-3-2-4-11(16)8-12(17)18/h10-11H,2-9H2,1H3,(H,14,19)(H,17,18)
InChIKeyVLZLRZHYYPXXKL-UHFFFAOYSA-N
MW269.34 g/mol
LogP0.73
Rot. Bonds3

About 2-[1-[(1-methylpyrrolidin-3-yl)carbamoyl]piperidin-2-yl]acetic acid

2-[1-[(1-methylpyrrolidin-3-yl)carbamoyl]piperidin-2-yl]acetic acid (PubChem CID 61465499) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-[1-[(1-methylpyrrolidin-3-yl)carbamoyl]piperidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(1-methylpyrrolidin-3-yl)carbamoyl]piperidin-2-yl]acetic acid
PubChem CID61465499
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name2-[1-[(1-methylpyrrolidin-3-yl)carbamoyl]piperidin-2-yl]acetic acid
SMILESCN1CCC(NC(=O)N2CCCCC2CC(=O)O)C1
InChIInChI=1S/C13H23N3O3/c1-15-7-5-10(9-15)14-13(19)16-6-3-2-4-11(16)8-12(17)18/h10-11H,2-9H2,1H3,(H,14,19)(H,17,18)
InChIKeyVLZLRZHYYPXXKL-UHFFFAOYSA-N
XLogP0.73
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[1-[(1-methylpyrrolidin-3-yl)carbamoyl]piperidin-2-yl]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-[1-[(1-methylpiperidin-3-yl)carbamoyl]pyrrolidin-2-yl]acetic acid
CID 61370399
1-[(1-methylpyrrolidin-3-yl)carbamoyl]piperidine-2-carboxylic acid
CID 54950139
2-[1-[(2-methyloxolan-3-yl)carbamoyl]piperidin-2-yl]acetic acid
CID 82728335
2-[1-(tert-butylcarbamoyl)piperidin-2-yl]acetic acid
CID 61010694
1-[(1-methylpiperidin-3-yl)carbamoyl]piperidine-2-carboxylic acid
CID 61223087
2-[1-(cyclobutylmethylcarbamoyl)piperidin-2-yl]acetic acid
CID 61197423
2-[1-[(1-methylcyclobutyl)carbamoyl]piperidin-2-yl]acetic acid
CID 113485792
N-cyclopentyl-2-ethylpiperidine-1-carboxamide
CID 17174323
2-[1-(2-cyclohexylethylcarbamoyl)piperidin-2-yl]acetic acid
CID 61206283
2-[1-(2-methylprop-2-enylcarbamoyl)piperidin-2-yl]acetic acid
CID 114618094
2-[1-(butylcarbamoyl)piperidin-2-yl]acetic acid
CID 61010692
2-[1-[(1-methylcyclopropyl)methylcarbamoyl]piperidin-2-yl]acetic acid
CID 114101416

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1-methylpyrrolidin-3-yl)carbamoyl]piperidin-2-yl]acetic acid?
The IUPAC name of 2-[1-[(1-methylpyrrolidin-3-yl)carbamoyl]piperidin-2-yl]acetic acid (CID 61465499) is 2-[1-[(1-methylpyrrolidin-3-yl)carbamoyl]piperidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[(1-methylpyrrolidin-3-yl)carbamoyl]piperidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[(1-methylpyrrolidin-3-yl)carbamoyl]piperidin-2-yl]acetic acid is CN1CCC(NC(=O)N2CCCCC2CC(=O)O)C1.
What is the InChIKey of 2-[1-[(1-methylpyrrolidin-3-yl)carbamoyl]piperidin-2-yl]acetic acid?
The InChIKey is VLZLRZHYYPXXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-15-7-5-10(9-15)14-13(19)16-6-3-2-4-11(16)8-12(17)18/h10-11H,2-9H2,1H3,(H,14,19)(H,17,18).
What are the key properties of 2-[1-[(1-methylpyrrolidin-3-yl)carbamoyl]piperidin-2-yl]acetic acid?
2-[1-[(1-methylpyrrolidin-3-yl)carbamoyl]piperidin-2-yl]acetic acid has a molecular weight of 269.34 g/mol, XLogP of 0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1-methylpyrrolidin-3-yl)carbamoyl]piperidin-2-yl]acetic acid is sourced from PubChem (CID 61465499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).