lithium;(2R)-2-acetamido-3-sulfanylpropanoic acid;hydride

C5H10LiNO3S — CID 175290404

IUPAClithium;(2R)-2-acetamido-3-sulfanylpropanoic acid;hydride
SMILESCC(=O)N[C@@H](CS)C(=O)O.[H-].[Li+]
InChIInChI=1S/C5H9NO3S.Li.H/c1-3(7)6-4(2-10)5(8)9;;/h4,10H,2H2,1H3,(H,6,7)(H,8,9);;/q;+1;-1/t4-;;/m0../s1
InChIKeyPZJGXORCUGSHLR-FHNDMYTFSA-N
MW171.15 g/mol
LogP-3.38
Rot. Bonds3

About lithium;(2R)-2-acetamido-3-sulfanylpropanoic acid;hydride

lithium;(2R)-2-acetamido-3-sulfanylpropanoic acid;hydride (PubChem CID 175290404) has the molecular formula C5H10LiNO3S and a molecular weight of 171.15 g/mol. Its IUPAC name is lithium;(2R)-2-acetamido-3-sulfanylpropanoic acid;hydride.

Molecular Properties

Compound Namelithium;(2R)-2-acetamido-3-sulfanylpropanoic acid;hydride
PubChem CID175290404
Molecular FormulaC5H10LiNO3S
Molecular Weight171.15 g/mol
Exact Mass171.05
IUPAC Namelithium;(2R)-2-acetamido-3-sulfanylpropanoic acid;hydride
SMILESCC(=O)N[C@@H](CS)C(=O)O.[H-].[Li+]
InChIInChI=1S/C5H9NO3S.Li.H/c1-3(7)6-4(2-10)5(8)9;;/h4,10H,2H2,1H3,(H,6,7)(H,8,9);;/q;+1;-1/t4-;;/m0../s1
InChIKeyPZJGXORCUGSHLR-FHNDMYTFSA-N
XLogP-3.38
TPSA66.40 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.15
LogP ≤ 5-3.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-acetamido-3-sulfanylpropanoic acid;bis((2R)-2-acetamido-3-sulfanylpropanoic acid)
CID 87596071
2-acetamido-3-sulfanylpropanoic acid;azane
CID 14369897
2-acetamido-3-sulfanylpropanoic acid;pentane-1,2,3,4,5-pentol
CID 74947454
(2S)-2-acetamido-5-amino-5-oxopentanoic acid;(2R)-2-acetamido-3-sulfanylpropanoic acid
CID 87864683
lithium 2-acetamido-3-sulfanylpropanoate
CID 87246334
2-acetamido-3-hydroxypropanoic acid;2-amino-3-sulfanylpropanoic acid
CID 155273306
ethane;N-[(2R)-3-oxo-1-sulfanylbutan-2-yl]acetamide
CID 144564571
2-acetamido-3-hydroxypropanoic acid;sulfane
CID 175323357
2-acetamido-3-sulfanylpropanethioic S-acid
CID 89034608
2-acetamido-N-propan-2-yl-3-sulfanylpropanamide
CID 88909683
(2R)-2-acetamido-3-sulfanylpropanoic acid;2-(2-sulfanylpropanoylamino)acetic acid
CID 158370316
(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-6-aminohexanoyl]amino]-6-aminohexanoyl]amino]-6-aminohexanoyl]amino]-6-aminohexanoyl]amino]-6-aminohexanoyl]amino]-6-aminohexanoyl]amino]-3-sulfanylpropanoic acid
CID 102595279

Frequently Asked Questions

What is the IUPAC name of lithium;(2R)-2-acetamido-3-sulfanylpropanoic acid;hydride?
The IUPAC name of lithium;(2R)-2-acetamido-3-sulfanylpropanoic acid;hydride (CID 175290404) is lithium;(2R)-2-acetamido-3-sulfanylpropanoic acid;hydride.
What is the SMILES notation for lithium;(2R)-2-acetamido-3-sulfanylpropanoic acid;hydride?
The canonical SMILES for lithium;(2R)-2-acetamido-3-sulfanylpropanoic acid;hydride is CC(=O)N[C@@H](CS)C(=O)O.[H-].[Li+].
What is the InChIKey of lithium;(2R)-2-acetamido-3-sulfanylpropanoic acid;hydride?
The InChIKey is PZJGXORCUGSHLR-FHNDMYTFSA-N. The full InChI is InChI=1S/C5H9NO3S.Li.H/c1-3(7)6-4(2-10)5(8)9;;/h4,10H,2H2,1H3,(H,6,7)(H,8,9);;/q;+1;-1/t4-;;/m0../s1.
What are the key properties of lithium;(2R)-2-acetamido-3-sulfanylpropanoic acid;hydride?
lithium;(2R)-2-acetamido-3-sulfanylpropanoic acid;hydride has a molecular weight of 171.15 g/mol, XLogP of -3.38, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;(2R)-2-acetamido-3-sulfanylpropanoic acid;hydride is sourced from PubChem (CID 175290404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).