1-(2-amino-3-methylsulfanylpropanoyl)pyrrolidine-3-carboxylic acid;hydrochloride

C9H17ClN2O3S — CID 146155544

IUPAC1-(2-amino-3-methylsulfanylpropanoyl)pyrrolidine-3-carboxylic acid;hydrochloride
SMILESCSCC(N)C(=O)N1CCC(C(=O)O)C1.Cl
InChIInChI=1S/C9H16N2O3S.ClH/c1-15-5-7(10)8(12)11-3-2-6(4-11)9(13)14;/h6-7H,2-5,10H2,1H3,(H,13,14);1H
InChIKeyDSZAELQMZAMZIK-UHFFFAOYSA-N
MW268.77 g/mol
LogP0.03
Rot. Bonds4

About 1-(2-amino-3-methylsulfanylpropanoyl)pyrrolidine-3-carboxylic acid;hydrochloride

1-(2-amino-3-methylsulfanylpropanoyl)pyrrolidine-3-carboxylic acid;hydrochloride (PubChem CID 146155544) has the molecular formula C9H17ClN2O3S and a molecular weight of 268.77 g/mol. Its IUPAC name is 1-(2-amino-3-methylsulfanylpropanoyl)pyrrolidine-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1-(2-amino-3-methylsulfanylpropanoyl)pyrrolidine-3-carboxylic acid;hydrochloride
PubChem CID146155544
Molecular FormulaC9H17ClN2O3S
Molecular Weight268.77 g/mol
Exact Mass268.06
IUPAC Name1-(2-amino-3-methylsulfanylpropanoyl)pyrrolidine-3-carboxylic acid;hydrochloride
SMILESCSCC(N)C(=O)N1CCC(C(=O)O)C1.Cl
InChIInChI=1S/C9H16N2O3S.ClH/c1-15-5-7(10)8(12)11-3-2-6(4-11)9(13)14;/h6-7H,2-5,10H2,1H3,(H,13,14);1H
InChIKeyDSZAELQMZAMZIK-UHFFFAOYSA-N
XLogP0.03
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.77
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-3-methylsulfanylpropanoyl)pyrrolidine-3-carboxylic acid;hydrochloride?
The IUPAC name of 1-(2-amino-3-methylsulfanylpropanoyl)pyrrolidine-3-carboxylic acid;hydrochloride (CID 146155544) is 1-(2-amino-3-methylsulfanylpropanoyl)pyrrolidine-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 1-(2-amino-3-methylsulfanylpropanoyl)pyrrolidine-3-carboxylic acid;hydrochloride?
The canonical SMILES for 1-(2-amino-3-methylsulfanylpropanoyl)pyrrolidine-3-carboxylic acid;hydrochloride is CSCC(N)C(=O)N1CCC(C(=O)O)C1.Cl.
What is the InChIKey of 1-(2-amino-3-methylsulfanylpropanoyl)pyrrolidine-3-carboxylic acid;hydrochloride?
The InChIKey is DSZAELQMZAMZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3S.ClH/c1-15-5-7(10)8(12)11-3-2-6(4-11)9(13)14;/h6-7H,2-5,10H2,1H3,(H,13,14);1H.
What are the key properties of 1-(2-amino-3-methylsulfanylpropanoyl)pyrrolidine-3-carboxylic acid;hydrochloride?
1-(2-amino-3-methylsulfanylpropanoyl)pyrrolidine-3-carboxylic acid;hydrochloride has a molecular weight of 268.77 g/mol, XLogP of 0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-3-methylsulfanylpropanoyl)pyrrolidine-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 146155544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).