lithium (2S)-5-hydroxy-2-[(4-methylphenyl)sulfonylamino]-5-oxopentanoate

C12H14LiNO6S — CID 171479381

IUPAClithium (2S)-5-hydroxy-2-[(4-methylphenyl)sulfonylamino]-5-oxopentanoate
SMILESCc1ccc(S(=O)(=O)N[C@@H](CCC(=O)O)C(=O)[O-])cc1.[Li+]
InChIInChI=1S/C12H15NO6S.Li/c1-8-2-4-9(5-3-8)20(18,19)13-10(12(16)17)6-7-11(14)15;/h2-5,10,13H,6-7H2,1H3,(H,14,15)(H,16,17);/q;+1/p-1/t10-;/m0./s1
InChIKeyLEZXOAYVFOUCQE-PPHPATTJSA-M
MW307.25 g/mol
LogP-3.74
Rot. Bonds7

About lithium (2S)-5-hydroxy-2-[(4-methylphenyl)sulfonylamino]-5-oxopentanoate

lithium (2S)-5-hydroxy-2-[(4-methylphenyl)sulfonylamino]-5-oxopentanoate (PubChem CID 171479381) has the molecular formula C12H14LiNO6S and a molecular weight of 307.25 g/mol. Its IUPAC name is lithium (2S)-5-hydroxy-2-[(4-methylphenyl)sulfonylamino]-5-oxopentanoate.

Molecular Properties

Compound Namelithium (2S)-5-hydroxy-2-[(4-methylphenyl)sulfonylamino]-5-oxopentanoate
PubChem CID171479381
Molecular FormulaC12H14LiNO6S
Molecular Weight307.25 g/mol
Exact Mass307.07
IUPAC Namelithium (2S)-5-hydroxy-2-[(4-methylphenyl)sulfonylamino]-5-oxopentanoate
SMILESCc1ccc(S(=O)(=O)N[C@@H](CCC(=O)O)C(=O)[O-])cc1.[Li+]
InChIInChI=1S/C12H15NO6S.Li/c1-8-2-4-9(5-3-8)20(18,19)13-10(12(16)17)6-7-11(14)15;/h2-5,10,13H,6-7H2,1H3,(H,14,15)(H,16,17);/q;+1/p-1/t10-;/m0./s1
InChIKeyLEZXOAYVFOUCQE-PPHPATTJSA-M
XLogP-3.74
TPSA123.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.25
LogP ≤ 5-3.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-methylphenyl)sulfonylamino]butanoate
CID 4987554
(4R)-4-amino-4-[(4-methylphenyl)sulfonylamino]butanoic acid
CID 67626596
2-[(4-methylphenyl)sulfonylamino]pentanedioyl dichloride
CID 71384812
(2S)-3-(carboxymethylsulfanyl)-2-[(4-methylphenyl)sulfonylamino]propanoic acid
CID 2298857
(2S)-2-(benzenesulfonamido)butanoate
CID 6944962
(2R)-2-[(3-methylphenyl)sulfonylamino]pentanedioate
CID 2422442
(2S)-2-[(4-bromophenyl)sulfonylamino]pentanedioic acid
CID 25198912
4-chloro-2-[(4-methylphenyl)sulfonylamino]butanoic acid
CID 19391793
(2R)-2-[(4-acetamidophenyl)sulfonylamino]pentanedioic acid
CID 25138182
(2S)-2-[(3-methylphenyl)sulfonylamino]pentanedioic acid
CID 2422440
(2R)-5-amino-2-[(2,4-dimethylphenyl)sulfonylamino]-5-oxopentanoate
CID 2101775
(2S)-2,3-bis[(4-methylphenyl)sulfonylamino]propanoic acid
CID 44722108

Frequently Asked Questions

What is the IUPAC name of lithium (2S)-5-hydroxy-2-[(4-methylphenyl)sulfonylamino]-5-oxopentanoate?
The IUPAC name of lithium (2S)-5-hydroxy-2-[(4-methylphenyl)sulfonylamino]-5-oxopentanoate (CID 171479381) is lithium (2S)-5-hydroxy-2-[(4-methylphenyl)sulfonylamino]-5-oxopentanoate.
What is the SMILES notation for lithium (2S)-5-hydroxy-2-[(4-methylphenyl)sulfonylamino]-5-oxopentanoate?
The canonical SMILES for lithium (2S)-5-hydroxy-2-[(4-methylphenyl)sulfonylamino]-5-oxopentanoate is Cc1ccc(S(=O)(=O)N[C@@H](CCC(=O)O)C(=O)[O-])cc1.[Li+].
What is the InChIKey of lithium (2S)-5-hydroxy-2-[(4-methylphenyl)sulfonylamino]-5-oxopentanoate?
The InChIKey is LEZXOAYVFOUCQE-PPHPATTJSA-M. The full InChI is InChI=1S/C12H15NO6S.Li/c1-8-2-4-9(5-3-8)20(18,19)13-10(12(16)17)6-7-11(14)15;/h2-5,10,13H,6-7H2,1H3,(H,14,15)(H,16,17);/q;+1/p-1/t10-;/m0./s1.
What are the key properties of lithium (2S)-5-hydroxy-2-[(4-methylphenyl)sulfonylamino]-5-oxopentanoate?
lithium (2S)-5-hydroxy-2-[(4-methylphenyl)sulfonylamino]-5-oxopentanoate has a molecular weight of 307.25 g/mol, XLogP of -3.74, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for lithium (2S)-5-hydroxy-2-[(4-methylphenyl)sulfonylamino]-5-oxopentanoate is sourced from PubChem (CID 171479381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).