dilithium;2-amino-3-[(2-amino-2-carboxyethyl)disulfanyl]propanoic acid;hydride

C6H14Li2N2O4S2 — CID 173165305

IUPACdilithium;2-amino-3-[(2-amino-2-carboxyethyl)disulfanyl]propanoic acid;hydride
SMILESNC(CSSCC(N)C(=O)O)C(=O)O.[H-].[H-].[Li+].[Li+]
InChIInChI=1S/C6H12N2O4S2.2Li.2H/c7-3(5(9)10)1-13-14-2-4(8)6(11)12;;;;/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12);;;;/q;2*+1;2*-1
InChIKeySTCQGULOGYGQHR-UHFFFAOYSA-N
MW256.20 g/mol
LogP-6.58
Rot. Bonds7

About dilithium;2-amino-3-[(2-amino-2-carboxyethyl)disulfanyl]propanoic acid;hydride

dilithium;2-amino-3-[(2-amino-2-carboxyethyl)disulfanyl]propanoic acid;hydride (PubChem CID 173165305) has the molecular formula C6H14Li2N2O4S2 and a molecular weight of 256.20 g/mol. Its IUPAC name is dilithium;2-amino-3-[(2-amino-2-carboxyethyl)disulfanyl]propanoic acid;hydride.

Molecular Properties

Compound Namedilithium;2-amino-3-[(2-amino-2-carboxyethyl)disulfanyl]propanoic acid;hydride
PubChem CID173165305
Molecular FormulaC6H14Li2N2O4S2
Molecular Weight256.20 g/mol
Exact Mass256.07
IUPAC Namedilithium;2-amino-3-[(2-amino-2-carboxyethyl)disulfanyl]propanoic acid;hydride
SMILESNC(CSSCC(N)C(=O)O)C(=O)O.[H-].[H-].[Li+].[Li+]
InChIInChI=1S/C6H12N2O4S2.2Li.2H/c7-3(5(9)10)1-13-14-2-4(8)6(11)12;;;;/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12);;;;/q;2*+1;2*-1
InChIKeySTCQGULOGYGQHR-UHFFFAOYSA-N
XLogP-6.58
TPSA126.64 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.20
LogP ≤ 5-6.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

disodium;(2R)-2-amino-3-[[(2R)-2-amino-2-carboxyethyl]disulfanyl]propanoic acid;hydride
CID 173044539
(2S)-2-amino-3-[[(2S)-2-amino-2-carboxyethyl]disulfanyl]propanoic acid;cadmium
CID 167531179
CID 87090924
CID 87090924
(2R)-2-amino-3-[[(2R)-2-amino-2-carboxyethyl]disulfanyl]propanoic acid;selane
CID 174366423
2-amino-3-[(2-amino-2-carboxyethyl)disulfanyl]propanoic acid;hydrate;dihydrochloride
CID 175225773
(2R)-2-amino-3-[[(2R)-2-amino-2-carboxyethyl]disulfanyl]propanoic acid;hydrate;hydrochloride
CID 57364743
(2S)-2-amino-3-(ethyldisulfanyl)propanoic acid
CID 46186615
(2R)-2-amino-3-[[(2S)-2-amino-3-chloro-3-oxopropyl]disulfanyl]propanoic acid
CID 142758437
(2R)-2-amino-3-[[(2R)-2-amino-2-carboxyethyl]disulfanyl]propanoic acid;bis(prop-2-enamide)
CID 87270826
(2R)-2-amino-3-(trisulfanyl)propanoic acid
CID 137350062
2-amino-3-[(2-amino-2-carboxyethyl)disulfanyl]propanoic acid;(2S,3S)-1,4-bis(sulfanyl)butane-2,3-diol
CID 87643677
2-amino-3-[(2-amino-3-methylbutyl)disulfanyl]propanoic acid
CID 165172984

Frequently Asked Questions

What is the IUPAC name of dilithium;2-amino-3-[(2-amino-2-carboxyethyl)disulfanyl]propanoic acid;hydride?
The IUPAC name of dilithium;2-amino-3-[(2-amino-2-carboxyethyl)disulfanyl]propanoic acid;hydride (CID 173165305) is dilithium;2-amino-3-[(2-amino-2-carboxyethyl)disulfanyl]propanoic acid;hydride.
What is the SMILES notation for dilithium;2-amino-3-[(2-amino-2-carboxyethyl)disulfanyl]propanoic acid;hydride?
The canonical SMILES for dilithium;2-amino-3-[(2-amino-2-carboxyethyl)disulfanyl]propanoic acid;hydride is NC(CSSCC(N)C(=O)O)C(=O)O.[H-].[H-].[Li+].[Li+].
What is the InChIKey of dilithium;2-amino-3-[(2-amino-2-carboxyethyl)disulfanyl]propanoic acid;hydride?
The InChIKey is STCQGULOGYGQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O4S2.2Li.2H/c7-3(5(9)10)1-13-14-2-4(8)6(11)12;;;;/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12);;;;/q;2*+1;2*-1.
What are the key properties of dilithium;2-amino-3-[(2-amino-2-carboxyethyl)disulfanyl]propanoic acid;hydride?
dilithium;2-amino-3-[(2-amino-2-carboxyethyl)disulfanyl]propanoic acid;hydride has a molecular weight of 256.20 g/mol, XLogP of -6.58, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;2-amino-3-[(2-amino-2-carboxyethyl)disulfanyl]propanoic acid;hydride is sourced from PubChem (CID 173165305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).