2-[(2-amino-3-methylsulfanylpropanoyl)-methylamino]acetic acid;hydrochloride

C7H15ClN2O3S — CID 146049696

IUPAC2-[(2-amino-3-methylsulfanylpropanoyl)-methylamino]acetic acid;hydrochloride
SMILESCSCC(N)C(=O)N(C)CC(=O)O.Cl
InChIInChI=1S/C7H14N2O3S.ClH/c1-9(3-6(10)11)7(12)5(8)4-13-2;/h5H,3-4,8H2,1-2H3,(H,10,11);1H
InChIKeyNRJRDQBPQKLSFI-UHFFFAOYSA-N
MW242.73 g/mol
LogP-0.36
Rot. Bonds5

About 2-[(2-amino-3-methylsulfanylpropanoyl)-methylamino]acetic acid;hydrochloride

2-[(2-amino-3-methylsulfanylpropanoyl)-methylamino]acetic acid;hydrochloride (PubChem CID 146049696) has the molecular formula C7H15ClN2O3S and a molecular weight of 242.73 g/mol. Its IUPAC name is 2-[(2-amino-3-methylsulfanylpropanoyl)-methylamino]acetic acid;hydrochloride.

Molecular Properties

Compound Name2-[(2-amino-3-methylsulfanylpropanoyl)-methylamino]acetic acid;hydrochloride
PubChem CID146049696
Molecular FormulaC7H15ClN2O3S
Molecular Weight242.73 g/mol
Exact Mass242.05
IUPAC Name2-[(2-amino-3-methylsulfanylpropanoyl)-methylamino]acetic acid;hydrochloride
SMILESCSCC(N)C(=O)N(C)CC(=O)O.Cl
InChIInChI=1S/C7H14N2O3S.ClH/c1-9(3-6(10)11)7(12)5(8)4-13-2;/h5H,3-4,8H2,1-2H3,(H,10,11);1H
InChIKeyNRJRDQBPQKLSFI-UHFFFAOYSA-N
XLogP-0.36
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.73
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-acetyl-L-methionine
CID 448580
L-Cysteinylglycine
CID 439498
N-Acetyl-DL-methionine
CID 6180
L-Methionylglycine
CID 6992930
N-acetyl-D-methionine
CID 6991987
Glycylmethionine, DL-
CID 96757
Methionylglycine
CID 259185
Methionylalanine
CID 14878381
Ala-Cys
CID 10058401
Glycyl-L-methionine
CID 151282
N-Acetyl-S-methyl-L-cysteine
CID 13893975
L-Methionyl-L-alanine
CID 7009581

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-3-methylsulfanylpropanoyl)-methylamino]acetic acid;hydrochloride?
The IUPAC name of 2-[(2-amino-3-methylsulfanylpropanoyl)-methylamino]acetic acid;hydrochloride (CID 146049696) is 2-[(2-amino-3-methylsulfanylpropanoyl)-methylamino]acetic acid;hydrochloride.
What is the SMILES notation for 2-[(2-amino-3-methylsulfanylpropanoyl)-methylamino]acetic acid;hydrochloride?
The canonical SMILES for 2-[(2-amino-3-methylsulfanylpropanoyl)-methylamino]acetic acid;hydrochloride is CSCC(N)C(=O)N(C)CC(=O)O.Cl.
What is the InChIKey of 2-[(2-amino-3-methylsulfanylpropanoyl)-methylamino]acetic acid;hydrochloride?
The InChIKey is NRJRDQBPQKLSFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O3S.ClH/c1-9(3-6(10)11)7(12)5(8)4-13-2;/h5H,3-4,8H2,1-2H3,(H,10,11);1H.
What are the key properties of 2-[(2-amino-3-methylsulfanylpropanoyl)-methylamino]acetic acid;hydrochloride?
2-[(2-amino-3-methylsulfanylpropanoyl)-methylamino]acetic acid;hydrochloride has a molecular weight of 242.73 g/mol, XLogP of -0.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-3-methylsulfanylpropanoyl)-methylamino]acetic acid;hydrochloride is sourced from PubChem (CID 146049696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).