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

C9H19ClN2O3S — CID 146049727

IUPACmethyl 3-[(2-amino-3-methylsulfanylpropanoyl)-methylamino]propanoate;hydrochloride
SMILESCOC(=O)CCN(C)C(=O)C(N)CSC.Cl
InChIInChI=1S/C9H18N2O3S.ClH/c1-11(5-4-8(12)14-2)9(13)7(10)6-15-3;/h7H,4-6,10H2,1-3H3;1H
InChIKeyRAKJKRQKADMTCJ-UHFFFAOYSA-N
MW270.78 g/mol
LogP0.12
Rot. Bonds6

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

methyl 3-[(2-amino-3-methylsulfanylpropanoyl)-methylamino]propanoate;hydrochloride (PubChem CID 146049727) has the molecular formula C9H19ClN2O3S and a molecular weight of 270.78 g/mol. Its IUPAC name is methyl 3-[(2-amino-3-methylsulfanylpropanoyl)-methylamino]propanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 3-[(2-amino-3-methylsulfanylpropanoyl)-methylamino]propanoate;hydrochloride
PubChem CID146049727
Molecular FormulaC9H19ClN2O3S
Molecular Weight270.78 g/mol
Exact Mass270.08
IUPAC Namemethyl 3-[(2-amino-3-methylsulfanylpropanoyl)-methylamino]propanoate;hydrochloride
SMILESCOC(=O)CCN(C)C(=O)C(N)CSC.Cl
InChIInChI=1S/C9H18N2O3S.ClH/c1-11(5-4-8(12)14-2)9(13)7(10)6-15-3;/h7H,4-6,10H2,1-3H3;1H
InChIKeyRAKJKRQKADMTCJ-UHFFFAOYSA-N
XLogP0.12
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.78
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-amino-3-methylsulfanylpropanoyl)-methylamino]propanoate;hydrochloride?
The IUPAC name of methyl 3-[(2-amino-3-methylsulfanylpropanoyl)-methylamino]propanoate;hydrochloride (CID 146049727) is methyl 3-[(2-amino-3-methylsulfanylpropanoyl)-methylamino]propanoate;hydrochloride.
What is the SMILES notation for methyl 3-[(2-amino-3-methylsulfanylpropanoyl)-methylamino]propanoate;hydrochloride?
The canonical SMILES for methyl 3-[(2-amino-3-methylsulfanylpropanoyl)-methylamino]propanoate;hydrochloride is COC(=O)CCN(C)C(=O)C(N)CSC.Cl.
What is the InChIKey of methyl 3-[(2-amino-3-methylsulfanylpropanoyl)-methylamino]propanoate;hydrochloride?
The InChIKey is RAKJKRQKADMTCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3S.ClH/c1-11(5-4-8(12)14-2)9(13)7(10)6-15-3;/h7H,4-6,10H2,1-3H3;1H.
What are the key properties of methyl 3-[(2-amino-3-methylsulfanylpropanoyl)-methylamino]propanoate;hydrochloride?
methyl 3-[(2-amino-3-methylsulfanylpropanoyl)-methylamino]propanoate;hydrochloride has a molecular weight of 270.78 g/mol, XLogP of 0.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-amino-3-methylsulfanylpropanoyl)-methylamino]propanoate;hydrochloride is sourced from PubChem (CID 146049727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).