dipotassium;(2S)-2-aminopentanedioate;prop-2-enoic acid

C8H11K2NO6 — CID 159253025

IUPACdipotassium;(2S)-2-aminopentanedioate;prop-2-enoic acid
SMILESC=CC(=O)O.N[C@@H](CCC(=O)[O-])C(=O)[O-].[K+].[K+]
InChIInChI=1S/C5H9NO4.C3H4O2.2K/c6-3(5(9)10)1-2-4(7)8;1-2-3(4)5;;/h3H,1-2,6H2,(H,7,8)(H,9,10);2H,1H2,(H,4,5);;/q;;2*+1/p-2/t3-;;;/m0.../s1
InChIKeyJVHAOZYNHZZJSS-LHWPGRLPSA-L
MW295.37 g/mol
LogP-9.14
Rot. Bonds5

About dipotassium;(2S)-2-aminopentanedioate;prop-2-enoic acid

dipotassium;(2S)-2-aminopentanedioate;prop-2-enoic acid (PubChem CID 159253025) has the molecular formula C8H11K2NO6 and a molecular weight of 295.37 g/mol. Its IUPAC name is dipotassium;(2S)-2-aminopentanedioate;prop-2-enoic acid.

Molecular Properties

Compound Namedipotassium;(2S)-2-aminopentanedioate;prop-2-enoic acid
PubChem CID159253025
Molecular FormulaC8H11K2NO6
Molecular Weight295.37 g/mol
Exact Mass294.99
IUPAC Namedipotassium;(2S)-2-aminopentanedioate;prop-2-enoic acid
SMILESC=CC(=O)O.N[C@@H](CCC(=O)[O-])C(=O)[O-].[K+].[K+]
InChIInChI=1S/C5H9NO4.C3H4O2.2K/c6-3(5(9)10)1-2-4(7)8;1-2-3(4)5;;/h3H,1-2,6H2,(H,7,8)(H,9,10);2H,1H2,(H,4,5);;/q;;2*+1/p-2/t3-;;;/m0.../s1
InChIKeyJVHAOZYNHZZJSS-LHWPGRLPSA-L
XLogP-9.14
TPSA143.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 5-9.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dipotassium;(2S)-2-aminopentanedioate;prop-2-enoic acid?
The IUPAC name of dipotassium;(2S)-2-aminopentanedioate;prop-2-enoic acid (CID 159253025) is dipotassium;(2S)-2-aminopentanedioate;prop-2-enoic acid.
What is the SMILES notation for dipotassium;(2S)-2-aminopentanedioate;prop-2-enoic acid?
The canonical SMILES for dipotassium;(2S)-2-aminopentanedioate;prop-2-enoic acid is C=CC(=O)O.N[C@@H](CCC(=O)[O-])C(=O)[O-].[K+].[K+].
What is the InChIKey of dipotassium;(2S)-2-aminopentanedioate;prop-2-enoic acid?
The InChIKey is JVHAOZYNHZZJSS-LHWPGRLPSA-L. The full InChI is InChI=1S/C5H9NO4.C3H4O2.2K/c6-3(5(9)10)1-2-4(7)8;1-2-3(4)5;;/h3H,1-2,6H2,(H,7,8)(H,9,10);2H,1H2,(H,4,5);;/q;;2*+1/p-2/t3-;;;/m0.../s1.
What are the key properties of dipotassium;(2S)-2-aminopentanedioate;prop-2-enoic acid?
dipotassium;(2S)-2-aminopentanedioate;prop-2-enoic acid has a molecular weight of 295.37 g/mol, XLogP of -9.14, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;(2S)-2-aminopentanedioate;prop-2-enoic acid is sourced from PubChem (CID 159253025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).