2-[1-(3-aminopropyl)piperidin-4-yl]oxyacetic acid

C10H20N2O3 — CID 63904920

IUPAC2-[1-(3-aminopropyl)piperidin-4-yl]oxyacetic acid
SMILESNCCCN1CCC(OCC(=O)O)CC1
InChIInChI=1S/C10H20N2O3/c11-4-1-5-12-6-2-9(3-7-12)15-8-10(13)14/h9H,1-8,11H2,(H,13,14)
InChIKeyRKLGSYSCGOTHOX-UHFFFAOYSA-N
MW216.28 g/mol
LogP-0.10
Rot. Bonds6

About 2-[1-(3-aminopropyl)piperidin-4-yl]oxyacetic acid

2-[1-(3-aminopropyl)piperidin-4-yl]oxyacetic acid (PubChem CID 63904920) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-[1-(3-aminopropyl)piperidin-4-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-(3-aminopropyl)piperidin-4-yl]oxyacetic acid
PubChem CID63904920
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name2-[1-(3-aminopropyl)piperidin-4-yl]oxyacetic acid
SMILESNCCCN1CCC(OCC(=O)O)CC1
InChIInChI=1S/C10H20N2O3/c11-4-1-5-12-6-2-9(3-7-12)15-8-10(13)14/h9H,1-8,11H2,(H,13,14)
InChIKeyRKLGSYSCGOTHOX-UHFFFAOYSA-N
XLogP-0.10
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-aminopropyl)piperidin-4-yl]oxyacetic acid?
The IUPAC name of 2-[1-(3-aminopropyl)piperidin-4-yl]oxyacetic acid (CID 63904920) is 2-[1-(3-aminopropyl)piperidin-4-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-(3-aminopropyl)piperidin-4-yl]oxyacetic acid?
The canonical SMILES for 2-[1-(3-aminopropyl)piperidin-4-yl]oxyacetic acid is NCCCN1CCC(OCC(=O)O)CC1.
What is the InChIKey of 2-[1-(3-aminopropyl)piperidin-4-yl]oxyacetic acid?
The InChIKey is RKLGSYSCGOTHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c11-4-1-5-12-6-2-9(3-7-12)15-8-10(13)14/h9H,1-8,11H2,(H,13,14).
What are the key properties of 2-[1-(3-aminopropyl)piperidin-4-yl]oxyacetic acid?
2-[1-(3-aminopropyl)piperidin-4-yl]oxyacetic acid has a molecular weight of 216.28 g/mol, XLogP of -0.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-aminopropyl)piperidin-4-yl]oxyacetic acid is sourced from PubChem (CID 63904920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).