3-[1-(3-amino-3-oxopropyl)piperidin-4-yl]propanoic acid

C11H20N2O3 — CID 62215681

IUPAC3-[1-(3-amino-3-oxopropyl)piperidin-4-yl]propanoic acid
SMILESNC(=O)CCN1CCC(CCC(=O)O)CC1
InChIInChI=1S/C11H20N2O3/c12-10(14)5-8-13-6-3-9(4-7-13)1-2-11(15)16/h9H,1-8H2,(H2,12,14)(H,15,16)
InChIKeyOBWSDQHMOJSLAR-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.44
Rot. Bonds6

About 3-[1-(3-amino-3-oxopropyl)piperidin-4-yl]propanoic acid

3-[1-(3-amino-3-oxopropyl)piperidin-4-yl]propanoic acid (PubChem CID 62215681) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 3-[1-(3-amino-3-oxopropyl)piperidin-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(3-amino-3-oxopropyl)piperidin-4-yl]propanoic acid
PubChem CID62215681
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name3-[1-(3-amino-3-oxopropyl)piperidin-4-yl]propanoic acid
SMILESNC(=O)CCN1CCC(CCC(=O)O)CC1
InChIInChI=1S/C11H20N2O3/c12-10(14)5-8-13-6-3-9(4-7-13)1-2-11(15)16/h9H,1-8H2,(H2,12,14)(H,15,16)
InChIKeyOBWSDQHMOJSLAR-UHFFFAOYSA-N
XLogP0.44
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[1-(3-amino-3-oxopropyl)piperidin-4-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

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-amino-3-oxopropyl)piperidin-4-yl]propanoic acid?
The IUPAC name of 3-[1-(3-amino-3-oxopropyl)piperidin-4-yl]propanoic acid (CID 62215681) is 3-[1-(3-amino-3-oxopropyl)piperidin-4-yl]propanoic acid.
What is the SMILES notation for 3-[1-(3-amino-3-oxopropyl)piperidin-4-yl]propanoic acid?
The canonical SMILES for 3-[1-(3-amino-3-oxopropyl)piperidin-4-yl]propanoic acid is NC(=O)CCN1CCC(CCC(=O)O)CC1.
What is the InChIKey of 3-[1-(3-amino-3-oxopropyl)piperidin-4-yl]propanoic acid?
The InChIKey is OBWSDQHMOJSLAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c12-10(14)5-8-13-6-3-9(4-7-13)1-2-11(15)16/h9H,1-8H2,(H2,12,14)(H,15,16).
What are the key properties of 3-[1-(3-amino-3-oxopropyl)piperidin-4-yl]propanoic acid?
3-[1-(3-amino-3-oxopropyl)piperidin-4-yl]propanoic acid has a molecular weight of 228.29 g/mol, XLogP of 0.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-amino-3-oxopropyl)piperidin-4-yl]propanoic acid is sourced from PubChem (CID 62215681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).