2-[1-[2-(4-aminopiperidin-1-yl)acetyl]pyrrolidin-2-yl]acetic acid

C13H23N3O3 — CID 79327798

IUPAC2-[1-[2-(4-aminopiperidin-1-yl)acetyl]pyrrolidin-2-yl]acetic acid
SMILESNC1CCN(CC(=O)N2CCCC2CC(=O)O)CC1
InChIInChI=1S/C13H23N3O3/c14-10-3-6-15(7-4-10)9-12(17)16-5-1-2-11(16)8-13(18)19/h10-11H,1-9,14H2,(H,18,19)
InChIKeyZCQZGVOKXRJPKB-UHFFFAOYSA-N
MW269.34 g/mol
LogP-0.12
Rot. Bonds4

About 2-[1-[2-(4-aminopiperidin-1-yl)acetyl]pyrrolidin-2-yl]acetic acid

2-[1-[2-(4-aminopiperidin-1-yl)acetyl]pyrrolidin-2-yl]acetic acid (PubChem CID 79327798) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-[1-[2-(4-aminopiperidin-1-yl)acetyl]pyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(4-aminopiperidin-1-yl)acetyl]pyrrolidin-2-yl]acetic acid
PubChem CID79327798
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name2-[1-[2-(4-aminopiperidin-1-yl)acetyl]pyrrolidin-2-yl]acetic acid
SMILESNC1CCN(CC(=O)N2CCCC2CC(=O)O)CC1
InChIInChI=1S/C13H23N3O3/c14-10-3-6-15(7-4-10)9-12(17)16-5-1-2-11(16)8-13(18)19/h10-11H,1-9,14H2,(H,18,19)
InChIKeyZCQZGVOKXRJPKB-UHFFFAOYSA-N
XLogP-0.12
TPSA86.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[1-[2-(4-aminopiperidin-1-yl)acetyl]pyrrolidin-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-(2-piperazin-1-ylacetyl)pyrrolidin-2-yl]acetic acid
CID 61371940
2-[1-(4-aminopiperidine-1-carbonyl)pyrrolidin-2-yl]acetic acid
CID 61403064
2-[1-(2-cyclopentylacetyl)pyrrolidin-2-yl]acetic acid
CID 61370257
2-(4-aminopiperidin-1-yl)-1-(2-cyclopentylpyrrolidin-1-yl)ethanone
CID 79327730
2-[(2S)-1-[2-(1,3-dihydroisoindol-2-yl)acetyl]piperidin-2-yl]acetic acid
CID 125175276
2-(4-aminopiperidin-1-yl)-1-(2-methylazepan-1-yl)ethanone
CID 79328192
2-[1-(3-aminocyclopentanecarbonyl)pyrrolidin-2-yl]acetic acid
CID 66010040
1-[2-(4-aminopiperidin-1-yl)acetyl]-N-cyclopropylpyrrolidine-2-carboxamide
CID 79323069
2-[(3S)-3-aminopyrrolidin-1-yl]-1-(2-ethylpiperidin-1-yl)ethanone;hydrochloride
CID 119933610
2-[1-[2-(2-oxoazepan-1-yl)acetyl]pyrrolidin-2-yl]acetic acid
CID 61370469
2-(1-butanoylpiperidin-2-yl)acetic acid
CID 61010375
(3S)-1-[2-(4-aminopiperidin-1-yl)acetyl]piperidine-3-carboxylic acid
CID 81125475

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(4-aminopiperidin-1-yl)acetyl]pyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[1-[2-(4-aminopiperidin-1-yl)acetyl]pyrrolidin-2-yl]acetic acid (CID 79327798) is 2-[1-[2-(4-aminopiperidin-1-yl)acetyl]pyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[2-(4-aminopiperidin-1-yl)acetyl]pyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[2-(4-aminopiperidin-1-yl)acetyl]pyrrolidin-2-yl]acetic acid is NC1CCN(CC(=O)N2CCCC2CC(=O)O)CC1.
What is the InChIKey of 2-[1-[2-(4-aminopiperidin-1-yl)acetyl]pyrrolidin-2-yl]acetic acid?
The InChIKey is ZCQZGVOKXRJPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c14-10-3-6-15(7-4-10)9-12(17)16-5-1-2-11(16)8-13(18)19/h10-11H,1-9,14H2,(H,18,19).
What are the key properties of 2-[1-[2-(4-aminopiperidin-1-yl)acetyl]pyrrolidin-2-yl]acetic acid?
2-[1-[2-(4-aminopiperidin-1-yl)acetyl]pyrrolidin-2-yl]acetic acid has a molecular weight of 269.34 g/mol, XLogP of -0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(4-aminopiperidin-1-yl)acetyl]pyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 79327798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).