methyl 3-[(2-aminoacetyl)-methylamino]propanoate;hydrochloride

C7H15ClN2O3 — CID 155943319

IUPACmethyl 3-[(2-aminoacetyl)-methylamino]propanoate;hydrochloride
SMILESCOC(=O)CCN(C)C(=O)CN.Cl
InChIInChI=1S/C7H14N2O3.ClH/c1-9(6(10)5-8)4-3-7(11)12-2;/h3-5,8H2,1-2H3;1H
InChIKeyWTUOGQRYKDETEM-UHFFFAOYSA-N
MW210.66 g/mol
LogP-0.61
Rot. Bonds4

About methyl 3-[(2-aminoacetyl)-methylamino]propanoate;hydrochloride

methyl 3-[(2-aminoacetyl)-methylamino]propanoate;hydrochloride (PubChem CID 155943319) has the molecular formula C7H15ClN2O3 and a molecular weight of 210.66 g/mol. Its IUPAC name is methyl 3-[(2-aminoacetyl)-methylamino]propanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 3-[(2-aminoacetyl)-methylamino]propanoate;hydrochloride
PubChem CID155943319
Molecular FormulaC7H15ClN2O3
Molecular Weight210.66 g/mol
Exact Mass210.08
IUPAC Namemethyl 3-[(2-aminoacetyl)-methylamino]propanoate;hydrochloride
SMILESCOC(=O)CCN(C)C(=O)CN.Cl
InChIInChI=1S/C7H14N2O3.ClH/c1-9(6(10)5-8)4-3-7(11)12-2;/h3-5,8H2,1-2H3;1H
InChIKeyWTUOGQRYKDETEM-UHFFFAOYSA-N
XLogP-0.61
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-aminoacetyl)-methylamino]propanoate;hydrochloride?
The IUPAC name of methyl 3-[(2-aminoacetyl)-methylamino]propanoate;hydrochloride (CID 155943319) is methyl 3-[(2-aminoacetyl)-methylamino]propanoate;hydrochloride.
What is the SMILES notation for methyl 3-[(2-aminoacetyl)-methylamino]propanoate;hydrochloride?
The canonical SMILES for methyl 3-[(2-aminoacetyl)-methylamino]propanoate;hydrochloride is COC(=O)CCN(C)C(=O)CN.Cl.
What is the InChIKey of methyl 3-[(2-aminoacetyl)-methylamino]propanoate;hydrochloride?
The InChIKey is WTUOGQRYKDETEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O3.ClH/c1-9(6(10)5-8)4-3-7(11)12-2;/h3-5,8H2,1-2H3;1H.
What are the key properties of methyl 3-[(2-aminoacetyl)-methylamino]propanoate;hydrochloride?
methyl 3-[(2-aminoacetyl)-methylamino]propanoate;hydrochloride has a molecular weight of 210.66 g/mol, XLogP of -0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-aminoacetyl)-methylamino]propanoate;hydrochloride is sourced from PubChem (CID 155943319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).