2-(piperidin-1-ylamino)propanoic acid

C8H16N2O2 — CID 66672316

IUPAC2-(piperidin-1-ylamino)propanoic acid
SMILESCC(NN1CCCCC1)C(=O)O
InChIInChI=1S/C8H16N2O2/c1-7(8(11)12)9-10-5-3-2-4-6-10/h7,9H,2-6H2,1H3,(H,11,12)
InChIKeyXQBUAEBDRUXSPI-UHFFFAOYSA-N
MW172.23 g/mol
LogP0.45
Rot. Bonds3

About 2-(piperidin-1-ylamino)propanoic acid

2-(piperidin-1-ylamino)propanoic acid (PubChem CID 66672316) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 2-(piperidin-1-ylamino)propanoic acid.

Molecular Properties

Compound Name2-(piperidin-1-ylamino)propanoic acid
PubChem CID66672316
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name2-(piperidin-1-ylamino)propanoic acid
SMILESCC(NN1CCCCC1)C(=O)O
InChIInChI=1S/C8H16N2O2/c1-7(8(11)12)9-10-5-3-2-4-6-10/h7,9H,2-6H2,1H3,(H,11,12)
InChIKeyXQBUAEBDRUXSPI-UHFFFAOYSA-N
XLogP0.45
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(piperidin-1-ylamino)propanoic acid?
The IUPAC name of 2-(piperidin-1-ylamino)propanoic acid (CID 66672316) is 2-(piperidin-1-ylamino)propanoic acid.
What is the SMILES notation for 2-(piperidin-1-ylamino)propanoic acid?
The canonical SMILES for 2-(piperidin-1-ylamino)propanoic acid is CC(NN1CCCCC1)C(=O)O.
What is the InChIKey of 2-(piperidin-1-ylamino)propanoic acid?
The InChIKey is XQBUAEBDRUXSPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-7(8(11)12)9-10-5-3-2-4-6-10/h7,9H,2-6H2,1H3,(H,11,12).
What are the key properties of 2-(piperidin-1-ylamino)propanoic acid?
2-(piperidin-1-ylamino)propanoic acid has a molecular weight of 172.23 g/mol, XLogP of 0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidin-1-ylamino)propanoic acid is sourced from PubChem (CID 66672316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).