methyl 2-[(2-amino-3-methylsulfanylpropanoyl)-methylamino]acetate;hydrochloride

C8H17ClN2O3S — CID 146049801

IUPACmethyl 2-[(2-amino-3-methylsulfanylpropanoyl)-methylamino]acetate;hydrochloride
SMILESCOC(=O)CN(C)C(=O)C(N)CSC.Cl
InChIInChI=1S/C8H16N2O3S.ClH/c1-10(4-7(11)13-2)8(12)6(9)5-14-3;/h6H,4-5,9H2,1-3H3;1H
InChIKeyHBGPWHKNADXVSK-UHFFFAOYSA-N
MW256.75 g/mol
LogP-0.27
Rot. Bonds5

About methyl 2-[(2-amino-3-methylsulfanylpropanoyl)-methylamino]acetate;hydrochloride

methyl 2-[(2-amino-3-methylsulfanylpropanoyl)-methylamino]acetate;hydrochloride (PubChem CID 146049801) has the molecular formula C8H17ClN2O3S and a molecular weight of 256.75 g/mol. Its IUPAC name is methyl 2-[(2-amino-3-methylsulfanylpropanoyl)-methylamino]acetate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-[(2-amino-3-methylsulfanylpropanoyl)-methylamino]acetate;hydrochloride
PubChem CID146049801
Molecular FormulaC8H17ClN2O3S
Molecular Weight256.75 g/mol
Exact Mass256.06
IUPAC Namemethyl 2-[(2-amino-3-methylsulfanylpropanoyl)-methylamino]acetate;hydrochloride
SMILESCOC(=O)CN(C)C(=O)C(N)CSC.Cl
InChIInChI=1S/C8H16N2O3S.ClH/c1-10(4-7(11)13-2)8(12)6(9)5-14-3;/h6H,4-5,9H2,1-3H3;1H
InChIKeyHBGPWHKNADXVSK-UHFFFAOYSA-N
XLogP-0.27
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.75
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-amino-3-methylsulfanylpropanoyl)-methylamino]acetate;hydrochloride?
The IUPAC name of methyl 2-[(2-amino-3-methylsulfanylpropanoyl)-methylamino]acetate;hydrochloride (CID 146049801) is methyl 2-[(2-amino-3-methylsulfanylpropanoyl)-methylamino]acetate;hydrochloride.
What is the SMILES notation for methyl 2-[(2-amino-3-methylsulfanylpropanoyl)-methylamino]acetate;hydrochloride?
The canonical SMILES for methyl 2-[(2-amino-3-methylsulfanylpropanoyl)-methylamino]acetate;hydrochloride is COC(=O)CN(C)C(=O)C(N)CSC.Cl.
What is the InChIKey of methyl 2-[(2-amino-3-methylsulfanylpropanoyl)-methylamino]acetate;hydrochloride?
The InChIKey is HBGPWHKNADXVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3S.ClH/c1-10(4-7(11)13-2)8(12)6(9)5-14-3;/h6H,4-5,9H2,1-3H3;1H.
What are the key properties of methyl 2-[(2-amino-3-methylsulfanylpropanoyl)-methylamino]acetate;hydrochloride?
methyl 2-[(2-amino-3-methylsulfanylpropanoyl)-methylamino]acetate;hydrochloride has a molecular weight of 256.75 g/mol, XLogP of -0.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-amino-3-methylsulfanylpropanoyl)-methylamino]acetate;hydrochloride is sourced from PubChem (CID 146049801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).