methyl 3-[3-aminopropanoyl(methyl)amino]propanoate;hydrochloride

C8H17ClN2O3 — CID 146049090

IUPACmethyl 3-[3-aminopropanoyl(methyl)amino]propanoate;hydrochloride
SMILESCOC(=O)CCN(C)C(=O)CCN.Cl
InChIInChI=1S/C8H16N2O3.ClH/c1-10(7(11)3-5-9)6-4-8(12)13-2;/h3-6,9H2,1-2H3;1H
InChIKeyRGRIYUZNMZRFGS-UHFFFAOYSA-N
MW224.69 g/mol
LogP-0.22
Rot. Bonds5

About methyl 3-[3-aminopropanoyl(methyl)amino]propanoate;hydrochloride

methyl 3-[3-aminopropanoyl(methyl)amino]propanoate;hydrochloride (PubChem CID 146049090) has the molecular formula C8H17ClN2O3 and a molecular weight of 224.69 g/mol. Its IUPAC name is methyl 3-[3-aminopropanoyl(methyl)amino]propanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 3-[3-aminopropanoyl(methyl)amino]propanoate;hydrochloride
PubChem CID146049090
Molecular FormulaC8H17ClN2O3
Molecular Weight224.69 g/mol
Exact Mass224.09
IUPAC Namemethyl 3-[3-aminopropanoyl(methyl)amino]propanoate;hydrochloride
SMILESCOC(=O)CCN(C)C(=O)CCN.Cl
InChIInChI=1S/C8H16N2O3.ClH/c1-10(7(11)3-5-9)6-4-8(12)13-2;/h3-6,9H2,1-2H3;1H
InChIKeyRGRIYUZNMZRFGS-UHFFFAOYSA-N
XLogP-0.22
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[3-aminopropanoyl(methyl)amino]propanoate;hydrochloride?
The IUPAC name of methyl 3-[3-aminopropanoyl(methyl)amino]propanoate;hydrochloride (CID 146049090) is methyl 3-[3-aminopropanoyl(methyl)amino]propanoate;hydrochloride.
What is the SMILES notation for methyl 3-[3-aminopropanoyl(methyl)amino]propanoate;hydrochloride?
The canonical SMILES for methyl 3-[3-aminopropanoyl(methyl)amino]propanoate;hydrochloride is COC(=O)CCN(C)C(=O)CCN.Cl.
What is the InChIKey of methyl 3-[3-aminopropanoyl(methyl)amino]propanoate;hydrochloride?
The InChIKey is RGRIYUZNMZRFGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3.ClH/c1-10(7(11)3-5-9)6-4-8(12)13-2;/h3-6,9H2,1-2H3;1H.
What are the key properties of methyl 3-[3-aminopropanoyl(methyl)amino]propanoate;hydrochloride?
methyl 3-[3-aminopropanoyl(methyl)amino]propanoate;hydrochloride has a molecular weight of 224.69 g/mol, XLogP of -0.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[3-aminopropanoyl(methyl)amino]propanoate;hydrochloride is sourced from PubChem (CID 146049090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).