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

C7H15ClN2O3S — CID 146049669

IUPAC2-[(2-amino-3-methylsulfanylpropanoyl)amino]propanoic acid;hydrochloride
SMILESCSCC(N)C(=O)NC(C)C(=O)O.Cl
InChIInChI=1S/C7H14N2O3S.ClH/c1-4(7(11)12)9-6(10)5(8)3-13-2;/h4-5H,3,8H2,1-2H3,(H,9,10)(H,11,12);1H
InChIKeyVGPWQFVQYPHKQT-UHFFFAOYSA-N
MW242.73 g/mol
LogP-0.31
Rot. Bonds5

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

2-[(2-amino-3-methylsulfanylpropanoyl)amino]propanoic acid;hydrochloride (PubChem CID 146049669) has the molecular formula C7H15ClN2O3S and a molecular weight of 242.73 g/mol. Its IUPAC name is 2-[(2-amino-3-methylsulfanylpropanoyl)amino]propanoic acid;hydrochloride.

Molecular Properties

Compound Name2-[(2-amino-3-methylsulfanylpropanoyl)amino]propanoic acid;hydrochloride
PubChem CID146049669
Molecular FormulaC7H15ClN2O3S
Molecular Weight242.73 g/mol
Exact Mass242.05
IUPAC Name2-[(2-amino-3-methylsulfanylpropanoyl)amino]propanoic acid;hydrochloride
SMILESCSCC(N)C(=O)NC(C)C(=O)O.Cl
InChIInChI=1S/C7H14N2O3S.ClH/c1-4(7(11)12)9-6(10)5(8)3-13-2;/h4-5H,3,8H2,1-2H3,(H,9,10)(H,11,12);1H
InChIKeyVGPWQFVQYPHKQT-UHFFFAOYSA-N
XLogP-0.31
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.73
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
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
Methionylmethionine
CID 104294
N-acetyl-D-methionine
CID 6991987
N,S-Diacetylcysteine
CID 65690
Cysteinylglycine disulfide
CID 22833544
Glycylmethionine, DL-
CID 96757
Methionylglycine
CID 259185
Methionylalanine
CID 14878381
L-Valine, N-L-methionyl-, radical ion(1-)
CID 23274411

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-3-methylsulfanylpropanoyl)amino]propanoic acid;hydrochloride?
The IUPAC name of 2-[(2-amino-3-methylsulfanylpropanoyl)amino]propanoic acid;hydrochloride (CID 146049669) is 2-[(2-amino-3-methylsulfanylpropanoyl)amino]propanoic acid;hydrochloride.
What is the SMILES notation for 2-[(2-amino-3-methylsulfanylpropanoyl)amino]propanoic acid;hydrochloride?
The canonical SMILES for 2-[(2-amino-3-methylsulfanylpropanoyl)amino]propanoic acid;hydrochloride is CSCC(N)C(=O)NC(C)C(=O)O.Cl.
What is the InChIKey of 2-[(2-amino-3-methylsulfanylpropanoyl)amino]propanoic acid;hydrochloride?
The InChIKey is VGPWQFVQYPHKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O3S.ClH/c1-4(7(11)12)9-6(10)5(8)3-13-2;/h4-5H,3,8H2,1-2H3,(H,9,10)(H,11,12);1H.
What are the key properties of 2-[(2-amino-3-methylsulfanylpropanoyl)amino]propanoic acid;hydrochloride?
2-[(2-amino-3-methylsulfanylpropanoyl)amino]propanoic acid;hydrochloride has a molecular weight of 242.73 g/mol, XLogP of -0.31, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-3-methylsulfanylpropanoyl)amino]propanoic acid;hydrochloride is sourced from PubChem (CID 146049669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).