dicesium;(2S)-2-aminobutanedioate

C4H5Cs2NO4 — CID 11639845

IUPACdicesium;(2S)-2-aminobutanedioate
SMILESN[C@@H](CC(=O)[O-])C(=O)[O-].[Cs+].[Cs+]
InChIInChI=1S/C4H7NO4.2Cs/c5-2(4(8)9)1-3(6)7;;/h2H,1,5H2,(H,6,7)(H,8,9);;/q;2*+1/p-2/t2-;;/m0../s1
InChIKeyVRRJYERADSBBPI-JIZZDEOASA-L
MW396.90 g/mol
LogP-9.79
Rot. Bonds3

About dicesium;(2S)-2-aminobutanedioate

dicesium;(2S)-2-aminobutanedioate (PubChem CID 11639845) has the molecular formula C4H5Cs2NO4 and a molecular weight of 396.90 g/mol. Its IUPAC name is dicesium;(2S)-2-aminobutanedioate.

Molecular Properties

Compound Namedicesium;(2S)-2-aminobutanedioate
PubChem CID11639845
Molecular FormulaC4H5Cs2NO4
Molecular Weight396.90 g/mol
Exact Mass396.83
IUPAC Namedicesium;(2S)-2-aminobutanedioate
SMILESN[C@@H](CC(=O)[O-])C(=O)[O-].[Cs+].[Cs+]
InChIInChI=1S/C4H7NO4.2Cs/c5-2(4(8)9)1-3(6)7;;/h2H,1,5H2,(H,6,7)(H,8,9);;/q;2*+1/p-2/t2-;;/m0../s1
InChIKeyVRRJYERADSBBPI-JIZZDEOASA-L
XLogP-9.79
TPSA106.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.90
LogP ≤ 5-9.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-aminobutanedioate
CID 4519554
CID 21127296
CID 21127296
(2S)-2-aminobutanedioate;silver
CID 87272123
disodium;2-aminobutanedioate
CID 172873588
tris(2-aminobutanedioate);bis(vanadium)
CID 173191601
tris(2-aminobutanedioate);bis(iron(3+))
CID 74401448
magnesium;2-aminobutanedioate;hydrochloride
CID 13372672
magnesium;bis(2-aminobutanedioate);hydron
CID 78170001
magnesium;dipotassium;bis((2S)-2-aminobutanedioate)
CID 12049086
(2S)-2-aminobutanedioate;manganese(2+);hydrochloride
CID 88636151
calcium;magnesium;(2R)-2-aminobutanedioate;(2S)-2-aminobutanedioate
CID 140602404
calcium;(2S)-2-aminobutanedioate;trihydrate
CID 139890017

Frequently Asked Questions

What is the IUPAC name of dicesium;(2S)-2-aminobutanedioate?
The IUPAC name of dicesium;(2S)-2-aminobutanedioate (CID 11639845) is dicesium;(2S)-2-aminobutanedioate.
What is the SMILES notation for dicesium;(2S)-2-aminobutanedioate?
The canonical SMILES for dicesium;(2S)-2-aminobutanedioate is N[C@@H](CC(=O)[O-])C(=O)[O-].[Cs+].[Cs+].
What is the InChIKey of dicesium;(2S)-2-aminobutanedioate?
The InChIKey is VRRJYERADSBBPI-JIZZDEOASA-L. The full InChI is InChI=1S/C4H7NO4.2Cs/c5-2(4(8)9)1-3(6)7;;/h2H,1,5H2,(H,6,7)(H,8,9);;/q;2*+1/p-2/t2-;;/m0../s1.
What are the key properties of dicesium;(2S)-2-aminobutanedioate?
dicesium;(2S)-2-aminobutanedioate has a molecular weight of 396.90 g/mol, XLogP of -9.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dicesium;(2S)-2-aminobutanedioate is sourced from PubChem (CID 11639845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).