dilithium;(2S)-3-methyl-2-[[oxido(phenyl)phosphinothioyl]amino]butanoate

C11H14Li2NO3PS — CID 162652492

IUPACdilithium;(2S)-3-methyl-2-[[oxido(phenyl)phosphinothioyl]amino]butanoate
SMILESCC(C)[C@H](NP([O-])(=S)c1ccccc1)C(=O)[O-].[Li+].[Li+]
InChIInChI=1S/C11H16NO3PS.2Li/c1-8(2)10(11(13)14)12-16(15,17)9-6-4-3-5-7-9;;/h3-8,10H,1-2H3,(H,13,14)(H2,12,15,17);;/q;2*+1/p-2/t10-,16?;;/m0../s1
InChIKeyUZMPXGMDHGFDGY-XUERHAGNSA-L
MW285.16 g/mol
LogP-6.65
Rot. Bonds5

About dilithium;(2S)-3-methyl-2-[[oxido(phenyl)phosphinothioyl]amino]butanoate

dilithium;(2S)-3-methyl-2-[[oxido(phenyl)phosphinothioyl]amino]butanoate (PubChem CID 162652492) has the molecular formula C11H14Li2NO3PS and a molecular weight of 285.16 g/mol. Its IUPAC name is dilithium;(2S)-3-methyl-2-[[oxido(phenyl)phosphinothioyl]amino]butanoate.

Molecular Properties

Compound Namedilithium;(2S)-3-methyl-2-[[oxido(phenyl)phosphinothioyl]amino]butanoate
PubChem CID162652492
Molecular FormulaC11H14Li2NO3PS
Molecular Weight285.16 g/mol
Exact Mass285.08
IUPAC Namedilithium;(2S)-3-methyl-2-[[oxido(phenyl)phosphinothioyl]amino]butanoate
SMILESCC(C)[C@H](NP([O-])(=S)c1ccccc1)C(=O)[O-].[Li+].[Li+]
InChIInChI=1S/C11H16NO3PS.2Li/c1-8(2)10(11(13)14)12-16(15,17)9-6-4-3-5-7-9;;/h3-8,10H,1-2H3,(H,13,14)(H2,12,15,17);;/q;2*+1/p-2/t10-,16?;;/m0../s1
InChIKeyUZMPXGMDHGFDGY-XUERHAGNSA-L
XLogP-6.65
TPSA75.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.16
LogP ≤ 5-6.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

Lithium (phenylsulfidophosphoryl)glycinate
CID 161233886
trilithium;(2S)-2-[[oxido(phenyl)phosphinothioyl]amino]pentanedioate
CID 10829566
dilithium;(2S)-4-methyl-2-[[oxido(phenyl)phosphinothioyl]amino]pentanoate
CID 162645496
dilithium;(2S)-2-[[oxido(phenyl)phosphinothioyl]amino]propanoate
CID 162651275
dilithium;(2S,3S)-3-methyl-2-[[oxido(phenyl)phosphinothioyl]amino]pentanoate
CID 162657562
dilithium;(2S)-4-methylsulfanyl-2-[[oxido(phenyl)phosphinothioyl]amino]butanoate
CID 162659532
(2S)-2-[[hydroxy(phenyl)phosphinothioyl]amino]-4-methylpentanoic acid
CID 162645497
(2S)-2-[[hydroxy(phenyl)phosphinothioyl]amino]propanoic acid
CID 162651276
(2S)-2-[[hydroxy(phenyl)phosphinothioyl]amino]-3-methylbutanoic acid
CID 162652493
(2S,3S)-2-[[hydroxy(phenyl)phosphinothioyl]amino]-3-methylpentanoic acid
CID 162657563
n-((r)-Methylphenylphosphinyl)-d-leucine methyl ester
CID 10636698
N-((S)-Methylphenylphosphinyl)-D-leucine methyl ester
CID 10755403

Frequently Asked Questions

What is the IUPAC name of dilithium;(2S)-3-methyl-2-[[oxido(phenyl)phosphinothioyl]amino]butanoate?
The IUPAC name of dilithium;(2S)-3-methyl-2-[[oxido(phenyl)phosphinothioyl]amino]butanoate (CID 162652492) is dilithium;(2S)-3-methyl-2-[[oxido(phenyl)phosphinothioyl]amino]butanoate.
What is the SMILES notation for dilithium;(2S)-3-methyl-2-[[oxido(phenyl)phosphinothioyl]amino]butanoate?
The canonical SMILES for dilithium;(2S)-3-methyl-2-[[oxido(phenyl)phosphinothioyl]amino]butanoate is CC(C)[C@H](NP([O-])(=S)c1ccccc1)C(=O)[O-].[Li+].[Li+].
What is the InChIKey of dilithium;(2S)-3-methyl-2-[[oxido(phenyl)phosphinothioyl]amino]butanoate?
The InChIKey is UZMPXGMDHGFDGY-XUERHAGNSA-L. The full InChI is InChI=1S/C11H16NO3PS.2Li/c1-8(2)10(11(13)14)12-16(15,17)9-6-4-3-5-7-9;;/h3-8,10H,1-2H3,(H,13,14)(H2,12,15,17);;/q;2*+1/p-2/t10-,16?;;/m0../s1.
What are the key properties of dilithium;(2S)-3-methyl-2-[[oxido(phenyl)phosphinothioyl]amino]butanoate?
dilithium;(2S)-3-methyl-2-[[oxido(phenyl)phosphinothioyl]amino]butanoate has a molecular weight of 285.16 g/mol, XLogP of -6.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;(2S)-3-methyl-2-[[oxido(phenyl)phosphinothioyl]amino]butanoate is sourced from PubChem (CID 162652492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).