methyl 2-amino-3-piperidin-1-ylpropanoate;dihydrochloride

C9H20Cl2N2O2 — CID 110209420

IUPACmethyl 2-amino-3-piperidin-1-ylpropanoate;dihydrochloride
SMILESCOC(=O)C(N)CN1CCCCC1.Cl.Cl
InChIInChI=1S/C9H18N2O2.2ClH/c1-13-9(12)8(10)7-11-5-3-2-4-6-11;;/h8H,2-7,10H2,1H3;2*1H
InChIKeyHIJWVQOYPYQEIP-UHFFFAOYSA-N
MW259.18 g/mol
LogP0.82
Rot. Bonds3

About methyl 2-amino-3-piperidin-1-ylpropanoate;dihydrochloride

methyl 2-amino-3-piperidin-1-ylpropanoate;dihydrochloride (PubChem CID 110209420) has the molecular formula C9H20Cl2N2O2 and a molecular weight of 259.18 g/mol. Its IUPAC name is methyl 2-amino-3-piperidin-1-ylpropanoate;dihydrochloride.

Molecular Properties

Compound Namemethyl 2-amino-3-piperidin-1-ylpropanoate;dihydrochloride
PubChem CID110209420
Molecular FormulaC9H20Cl2N2O2
Molecular Weight259.18 g/mol
Exact Mass258.09
IUPAC Namemethyl 2-amino-3-piperidin-1-ylpropanoate;dihydrochloride
SMILESCOC(=O)C(N)CN1CCCCC1.Cl.Cl
InChIInChI=1S/C9H18N2O2.2ClH/c1-13-9(12)8(10)7-11-5-3-2-4-6-11;;/h8H,2-7,10H2,1H3;2*1H
InChIKeyHIJWVQOYPYQEIP-UHFFFAOYSA-N
XLogP0.82
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.18
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-piperidin-1-ylpropanoate;dihydrochloride?
The IUPAC name of methyl 2-amino-3-piperidin-1-ylpropanoate;dihydrochloride (CID 110209420) is methyl 2-amino-3-piperidin-1-ylpropanoate;dihydrochloride.
What is the SMILES notation for methyl 2-amino-3-piperidin-1-ylpropanoate;dihydrochloride?
The canonical SMILES for methyl 2-amino-3-piperidin-1-ylpropanoate;dihydrochloride is COC(=O)C(N)CN1CCCCC1.Cl.Cl.
What is the InChIKey of methyl 2-amino-3-piperidin-1-ylpropanoate;dihydrochloride?
The InChIKey is HIJWVQOYPYQEIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2.2ClH/c1-13-9(12)8(10)7-11-5-3-2-4-6-11;;/h8H,2-7,10H2,1H3;2*1H.
What are the key properties of methyl 2-amino-3-piperidin-1-ylpropanoate;dihydrochloride?
methyl 2-amino-3-piperidin-1-ylpropanoate;dihydrochloride has a molecular weight of 259.18 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-piperidin-1-ylpropanoate;dihydrochloride is sourced from PubChem (CID 110209420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).