methyl 2-amino-3-(dimethylamino)propanoate;dihydrochloride

C6H16Cl2N2O2 — CID 119031393

IUPACmethyl 2-amino-3-(dimethylamino)propanoate;dihydrochloride
SMILESCOC(=O)C(N)CN(C)C.Cl.Cl
InChIInChI=1S/C6H14N2O2.2ClH/c1-8(2)4-5(7)6(9)10-3;;/h5H,4,7H2,1-3H3;2*1H
InChIKeyAVHDLAYGHALJSL-UHFFFAOYSA-N
MW219.11 g/mol
LogP-0.11
Rot. Bonds3

About methyl 2-amino-3-(dimethylamino)propanoate;dihydrochloride

methyl 2-amino-3-(dimethylamino)propanoate;dihydrochloride (PubChem CID 119031393) has the molecular formula C6H16Cl2N2O2 and a molecular weight of 219.11 g/mol. Its IUPAC name is methyl 2-amino-3-(dimethylamino)propanoate;dihydrochloride.

Molecular Properties

Compound Namemethyl 2-amino-3-(dimethylamino)propanoate;dihydrochloride
PubChem CID119031393
Molecular FormulaC6H16Cl2N2O2
Molecular Weight219.11 g/mol
Exact Mass218.06
IUPAC Namemethyl 2-amino-3-(dimethylamino)propanoate;dihydrochloride
SMILESCOC(=O)C(N)CN(C)C.Cl.Cl
InChIInChI=1S/C6H14N2O2.2ClH/c1-8(2)4-5(7)6(9)10-3;;/h5H,4,7H2,1-3H3;2*1H
InChIKeyAVHDLAYGHALJSL-UHFFFAOYSA-N
XLogP-0.11
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.11
LogP ≤ 5-0.11
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-(dimethylamino)propanoate;dihydrochloride?
The IUPAC name of methyl 2-amino-3-(dimethylamino)propanoate;dihydrochloride (CID 119031393) is methyl 2-amino-3-(dimethylamino)propanoate;dihydrochloride.
What is the SMILES notation for methyl 2-amino-3-(dimethylamino)propanoate;dihydrochloride?
The canonical SMILES for methyl 2-amino-3-(dimethylamino)propanoate;dihydrochloride is COC(=O)C(N)CN(C)C.Cl.Cl.
What is the InChIKey of methyl 2-amino-3-(dimethylamino)propanoate;dihydrochloride?
The InChIKey is AVHDLAYGHALJSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2.2ClH/c1-8(2)4-5(7)6(9)10-3;;/h5H,4,7H2,1-3H3;2*1H.
What are the key properties of methyl 2-amino-3-(dimethylamino)propanoate;dihydrochloride?
methyl 2-amino-3-(dimethylamino)propanoate;dihydrochloride has a molecular weight of 219.11 g/mol, XLogP of -0.11, 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-(dimethylamino)propanoate;dihydrochloride is sourced from PubChem (CID 119031393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).