3-amino-2-(3-propoxypiperidin-1-yl)propanoic acid

C11H22N2O3 — CID 64695830

IUPAC3-amino-2-(3-propoxypiperidin-1-yl)propanoic acid
SMILESCCCOC1CCCN(C(CN)C(=O)O)C1
InChIInChI=1S/C11H22N2O3/c1-2-6-16-9-4-3-5-13(8-9)10(7-12)11(14)15/h9-10H,2-8,12H2,1H3,(H,14,15)
InChIKeyUGGDWDNQWUTOAA-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.29
Rot. Bonds6

About 3-amino-2-(3-propoxypiperidin-1-yl)propanoic acid

3-amino-2-(3-propoxypiperidin-1-yl)propanoic acid (PubChem CID 64695830) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-amino-2-(3-propoxypiperidin-1-yl)propanoic acid.

Molecular Properties

Compound Name3-amino-2-(3-propoxypiperidin-1-yl)propanoic acid
PubChem CID64695830
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name3-amino-2-(3-propoxypiperidin-1-yl)propanoic acid
SMILESCCCOC1CCCN(C(CN)C(=O)O)C1
InChIInChI=1S/C11H22N2O3/c1-2-6-16-9-4-3-5-13(8-9)10(7-12)11(14)15/h9-10H,2-8,12H2,1H3,(H,14,15)
InChIKeyUGGDWDNQWUTOAA-UHFFFAOYSA-N
XLogP0.29
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(3-propoxypiperidin-1-yl)propanoic acid?
The IUPAC name of 3-amino-2-(3-propoxypiperidin-1-yl)propanoic acid (CID 64695830) is 3-amino-2-(3-propoxypiperidin-1-yl)propanoic acid.
What is the SMILES notation for 3-amino-2-(3-propoxypiperidin-1-yl)propanoic acid?
The canonical SMILES for 3-amino-2-(3-propoxypiperidin-1-yl)propanoic acid is CCCOC1CCCN(C(CN)C(=O)O)C1.
What is the InChIKey of 3-amino-2-(3-propoxypiperidin-1-yl)propanoic acid?
The InChIKey is UGGDWDNQWUTOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-2-6-16-9-4-3-5-13(8-9)10(7-12)11(14)15/h9-10H,2-8,12H2,1H3,(H,14,15).
What are the key properties of 3-amino-2-(3-propoxypiperidin-1-yl)propanoic acid?
3-amino-2-(3-propoxypiperidin-1-yl)propanoic acid has a molecular weight of 230.31 g/mol, XLogP of 0.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(3-propoxypiperidin-1-yl)propanoic acid is sourced from PubChem (CID 64695830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).