2-amino-3-piperidin-1-ylpropanoic acid;dihydrochloride

C8H18Cl2N2O2 — CID 71757356

IUPAC2-amino-3-piperidin-1-ylpropanoic acid;dihydrochloride
SMILESCl.Cl.NC(CN1CCCCC1)C(=O)O
InChIInChI=1S/C8H16N2O2.2ClH/c9-7(8(11)12)6-10-4-2-1-3-5-10;;/h7H,1-6,9H2,(H,11,12);2*1H
InChIKeyOEKHEURLQQPTND-UHFFFAOYSA-N
MW245.15 g/mol
LogP0.73
Rot. Bonds3

About 2-amino-3-piperidin-1-ylpropanoic acid;dihydrochloride

2-amino-3-piperidin-1-ylpropanoic acid;dihydrochloride (PubChem CID 71757356) has the molecular formula C8H18Cl2N2O2 and a molecular weight of 245.15 g/mol. Its IUPAC name is 2-amino-3-piperidin-1-ylpropanoic acid;dihydrochloride.

Molecular Properties

Compound Name2-amino-3-piperidin-1-ylpropanoic acid;dihydrochloride
PubChem CID71757356
Molecular FormulaC8H18Cl2N2O2
Molecular Weight245.15 g/mol
Exact Mass244.07
IUPAC Name2-amino-3-piperidin-1-ylpropanoic acid;dihydrochloride
SMILESCl.Cl.NC(CN1CCCCC1)C(=O)O
InChIInChI=1S/C8H16N2O2.2ClH/c9-7(8(11)12)6-10-4-2-1-3-5-10;;/h7H,1-6,9H2,(H,11,12);2*1H
InChIKeyOEKHEURLQQPTND-UHFFFAOYSA-N
XLogP0.73
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.15
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-piperidin-1-ylpropanoic acid;dihydrochloride?
The IUPAC name of 2-amino-3-piperidin-1-ylpropanoic acid;dihydrochloride (CID 71757356) is 2-amino-3-piperidin-1-ylpropanoic acid;dihydrochloride.
What is the SMILES notation for 2-amino-3-piperidin-1-ylpropanoic acid;dihydrochloride?
The canonical SMILES for 2-amino-3-piperidin-1-ylpropanoic acid;dihydrochloride is Cl.Cl.NC(CN1CCCCC1)C(=O)O.
What is the InChIKey of 2-amino-3-piperidin-1-ylpropanoic acid;dihydrochloride?
The InChIKey is OEKHEURLQQPTND-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2.2ClH/c9-7(8(11)12)6-10-4-2-1-3-5-10;;/h7H,1-6,9H2,(H,11,12);2*1H.
What are the key properties of 2-amino-3-piperidin-1-ylpropanoic acid;dihydrochloride?
2-amino-3-piperidin-1-ylpropanoic acid;dihydrochloride has a molecular weight of 245.15 g/mol, XLogP of 0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-piperidin-1-ylpropanoic acid;dihydrochloride is sourced from PubChem (CID 71757356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).