3-amino-3-pyridin-2-ylpropanoic acid;dihydrochloride

C8H12Cl2N2O2 — CID 71757125

IUPAC3-amino-3-pyridin-2-ylpropanoic acid;dihydrochloride
SMILESCl.Cl.NC(CC(=O)O)c1ccccn1
InChIInChI=1S/C8H10N2O2.2ClH/c9-6(5-8(11)12)7-3-1-2-4-10-7;;/h1-4,6H,5,9H2,(H,11,12);2*1H
InChIKeyCEYSGWSRPMEIMV-UHFFFAOYSA-N
MW239.10 g/mol
LogP1.40
Rot. Bonds3

About 3-amino-3-pyridin-2-ylpropanoic acid;dihydrochloride

3-amino-3-pyridin-2-ylpropanoic acid;dihydrochloride (PubChem CID 71757125) has the molecular formula C8H12Cl2N2O2 and a molecular weight of 239.10 g/mol. Its IUPAC name is 3-amino-3-pyridin-2-ylpropanoic acid;dihydrochloride.

Molecular Properties

Compound Name3-amino-3-pyridin-2-ylpropanoic acid;dihydrochloride
PubChem CID71757125
Molecular FormulaC8H12Cl2N2O2
Molecular Weight239.10 g/mol
Exact Mass238.03
IUPAC Name3-amino-3-pyridin-2-ylpropanoic acid;dihydrochloride
SMILESCl.Cl.NC(CC(=O)O)c1ccccn1
InChIInChI=1S/C8H10N2O2.2ClH/c9-6(5-8(11)12)7-3-1-2-4-10-7;;/h1-4,6H,5,9H2,(H,11,12);2*1H
InChIKeyCEYSGWSRPMEIMV-UHFFFAOYSA-N
XLogP1.40
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.10
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-pyridin-2-ylpropanoic acid;dihydrochloride?
The IUPAC name of 3-amino-3-pyridin-2-ylpropanoic acid;dihydrochloride (CID 71757125) is 3-amino-3-pyridin-2-ylpropanoic acid;dihydrochloride.
What is the SMILES notation for 3-amino-3-pyridin-2-ylpropanoic acid;dihydrochloride?
The canonical SMILES for 3-amino-3-pyridin-2-ylpropanoic acid;dihydrochloride is Cl.Cl.NC(CC(=O)O)c1ccccn1.
What is the InChIKey of 3-amino-3-pyridin-2-ylpropanoic acid;dihydrochloride?
The InChIKey is CEYSGWSRPMEIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2.2ClH/c9-6(5-8(11)12)7-3-1-2-4-10-7;;/h1-4,6H,5,9H2,(H,11,12);2*1H.
What are the key properties of 3-amino-3-pyridin-2-ylpropanoic acid;dihydrochloride?
3-amino-3-pyridin-2-ylpropanoic acid;dihydrochloride has a molecular weight of 239.10 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-pyridin-2-ylpropanoic acid;dihydrochloride is sourced from PubChem (CID 71757125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).