potassium (2S)-1-[(2S)-2-(ethylsulfonylamino)propanoyl]pyrrolidine-2-carboxylate

C10H17KN2O5S — CID 23715032

IUPACpotassium (2S)-1-[(2S)-2-(ethylsulfonylamino)propanoyl]pyrrolidine-2-carboxylate
SMILESCCS(=O)(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)[O-].[K+]
InChIInChI=1S/C10H18N2O5S.K/c1-3-18(16,17)11-7(2)9(13)12-6-4-5-8(12)10(14)15;/h7-8,11H,3-6H2,1-2H3,(H,14,15);/q;+1/p-1/t7-,8-;/m0./s1
InChIKeyZNACTUAZAATDSV-WSZWBAFRSA-M
MW316.42 g/mol
LogP-4.94
Rot. Bonds5

About potassium (2S)-1-[(2S)-2-(ethylsulfonylamino)propanoyl]pyrrolidine-2-carboxylate

potassium (2S)-1-[(2S)-2-(ethylsulfonylamino)propanoyl]pyrrolidine-2-carboxylate (PubChem CID 23715032) has the molecular formula C10H17KN2O5S and a molecular weight of 316.42 g/mol. Its IUPAC name is potassium (2S)-1-[(2S)-2-(ethylsulfonylamino)propanoyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namepotassium (2S)-1-[(2S)-2-(ethylsulfonylamino)propanoyl]pyrrolidine-2-carboxylate
PubChem CID23715032
Molecular FormulaC10H17KN2O5S
Molecular Weight316.42 g/mol
Exact Mass316.05
IUPAC Namepotassium (2S)-1-[(2S)-2-(ethylsulfonylamino)propanoyl]pyrrolidine-2-carboxylate
SMILESCCS(=O)(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)[O-].[K+]
InChIInChI=1S/C10H18N2O5S.K/c1-3-18(16,17)11-7(2)9(13)12-6-4-5-8(12)10(14)15;/h7-8,11H,3-6H2,1-2H3,(H,14,15);/q;+1/p-1/t7-,8-;/m0./s1
InChIKeyZNACTUAZAATDSV-WSZWBAFRSA-M
XLogP-4.94
TPSA106.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.42
LogP ≤ 5-4.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

lithium (2R)-1-[(2R)-2-chloropropanoyl]pyrrolidine-2-carboxylate
CID 142547749
cyclohexylazanium;(2S)-1-(2-hydroxypropanoyl)pyrrolidine-2-carboxylate
CID 139677117
(2S)-1-[(2S)-1-[(2S)-5-amino-2-(ethylsulfonylamino)-5-oxopentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 70427503
disodium bis((2S)-1-[(2S)-2-[[oxo(phenyl)phosphaniumyl]amino]propanoyl]pyrrolidine-2-carboxylate)
CID 22819193
sodium 1-(2-methyl-3-sulfanylpropanoyl)piperidine-2-carboxylate
CID 88787958
(2R)-1-[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]pyrrolidine-2-carboxylate
CID 6992428
1-[2-(diethylsulfamoylamino)propanoyl]-2-methylpiperidine
CID 51108067
(2S)-1-[(2S)-2-(2,2-dimethylpropanoylamino)propanoyl]-N-ethylpyrrolidine-2-carboxamide
CID 54069364
potassium (2S)-1-tetradecanoylpyrrolidine-2-carboxylate
CID 177344572
2-methyl-1-[(2S)-2-propanoylpyrrolidin-1-yl]propan-1-one
CID 121371179
ethyl 1-(2-acetamidopropanoyl)pyrrolidine-2-carboxylate
CID 55006105
S-ethyl 1-(2-formamidopropanoyl)pyrrolidine-2-carbothioate
CID 131968644

Frequently Asked Questions

What is the IUPAC name of potassium (2S)-1-[(2S)-2-(ethylsulfonylamino)propanoyl]pyrrolidine-2-carboxylate?
The IUPAC name of potassium (2S)-1-[(2S)-2-(ethylsulfonylamino)propanoyl]pyrrolidine-2-carboxylate (CID 23715032) is potassium (2S)-1-[(2S)-2-(ethylsulfonylamino)propanoyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for potassium (2S)-1-[(2S)-2-(ethylsulfonylamino)propanoyl]pyrrolidine-2-carboxylate?
The canonical SMILES for potassium (2S)-1-[(2S)-2-(ethylsulfonylamino)propanoyl]pyrrolidine-2-carboxylate is CCS(=O)(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)[O-].[K+].
What is the InChIKey of potassium (2S)-1-[(2S)-2-(ethylsulfonylamino)propanoyl]pyrrolidine-2-carboxylate?
The InChIKey is ZNACTUAZAATDSV-WSZWBAFRSA-M. The full InChI is InChI=1S/C10H18N2O5S.K/c1-3-18(16,17)11-7(2)9(13)12-6-4-5-8(12)10(14)15;/h7-8,11H,3-6H2,1-2H3,(H,14,15);/q;+1/p-1/t7-,8-;/m0./s1.
What are the key properties of potassium (2S)-1-[(2S)-2-(ethylsulfonylamino)propanoyl]pyrrolidine-2-carboxylate?
potassium (2S)-1-[(2S)-2-(ethylsulfonylamino)propanoyl]pyrrolidine-2-carboxylate has a molecular weight of 316.42 g/mol, XLogP of -4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (2S)-1-[(2S)-2-(ethylsulfonylamino)propanoyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 23715032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).