dipotassium;(2S)-2-[[(E)-3-phenylprop-2-enylidene]amino]pentanedioate

C14H13K2NO4 — CID 127037044

IUPACdipotassium;(2S)-2-[[(E)-3-phenylprop-2-enylidene]amino]pentanedioate
SMILESO=C([O-])CC[C@H](/N=C/C=C/c1ccccc1)C(=O)[O-].[K+].[K+]
InChIInChI=1S/C14H15NO4.2K/c16-13(17)9-8-12(14(18)19)15-10-4-7-11-5-2-1-3-6-11;;/h1-7,10,12H,8-9H2,(H,16,17)(H,18,19);;/q;2*+1/p-2/b7-4+,15-10+;;/t12-;;/m0../s1
InChIKeyQBQDGWODRUWDJM-QTKGLFLTSA-L
MW337.46 g/mol
LogP-6.57
Rot. Bonds7

About dipotassium;(2S)-2-[[(E)-3-phenylprop-2-enylidene]amino]pentanedioate

dipotassium;(2S)-2-[[(E)-3-phenylprop-2-enylidene]amino]pentanedioate (PubChem CID 127037044) has the molecular formula C14H13K2NO4 and a molecular weight of 337.46 g/mol. Its IUPAC name is dipotassium;(2S)-2-[[(E)-3-phenylprop-2-enylidene]amino]pentanedioate.

Molecular Properties

Compound Namedipotassium;(2S)-2-[[(E)-3-phenylprop-2-enylidene]amino]pentanedioate
PubChem CID127037044
Molecular FormulaC14H13K2NO4
Molecular Weight337.46 g/mol
Exact Mass337.01
IUPAC Namedipotassium;(2S)-2-[[(E)-3-phenylprop-2-enylidene]amino]pentanedioate
SMILESO=C([O-])CC[C@H](/N=C/C=C/c1ccccc1)C(=O)[O-].[K+].[K+]
InChIInChI=1S/C14H15NO4.2K/c16-13(17)9-8-12(14(18)19)15-10-4-7-11-5-2-1-3-6-11;;/h1-7,10,12H,8-9H2,(H,16,17)(H,18,19);;/q;2*+1/p-2/b7-4+,15-10+;;/t12-;;/m0../s1
InChIKeyQBQDGWODRUWDJM-QTKGLFLTSA-L
XLogP-6.57
TPSA92.62 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 5-6.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze dipotassium;(2S)-2-[[(E)-3-phenylprop-2-enylidene]amino]pentanedioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

potassium 2-[[(E)-3-phenylprop-2-enylidene]amino]propanoate
CID 101963488
dipotassium;(2S)-2-[[(E)-3-(4-chlorophenyl)prop-2-enylidene]amino]pentanedioate
CID 127037046
dipotassium;(2S)-2-[[(E)-3-phenylprop-2-enylidene]amino]butanedioate
CID 127037048
potassium (2S)-4-methyl-2-[[(E)-3-phenylprop-2-enylidene]amino]pentanoate
CID 127037155
potassium (2S)-3-methyl-2-[[(E)-3-phenylprop-2-enylidene]amino]butanoate
CID 127037628
(2S)-2-[[(E)-3-phenylprop-2-enylidene]amino]pentanedioic acid
CID 127027001
(2S)-4-methyl-2-[[(E)-3-phenylprop-2-enylidene]amino]pentanoic acid
CID 127027313
2-(Benzylideneamino)hex-5-enoic acid
CID 54464625
(2S)-2-(benzylideneamino)pentanedioic acid
CID 70656407
Dimethyl 2-(benzylideneamino)-2-methylpentanedioate
CID 13677536
Dimethyl 2-(benzylideneamino)pentanedioate
CID 13677537
4-methyl-2-[[(E)-3-phenylprop-2-enylidene]amino]pentanoic acid
CID 15533045

Frequently Asked Questions

What is the IUPAC name of dipotassium;(2S)-2-[[(E)-3-phenylprop-2-enylidene]amino]pentanedioate?
The IUPAC name of dipotassium;(2S)-2-[[(E)-3-phenylprop-2-enylidene]amino]pentanedioate (CID 127037044) is dipotassium;(2S)-2-[[(E)-3-phenylprop-2-enylidene]amino]pentanedioate.
What is the SMILES notation for dipotassium;(2S)-2-[[(E)-3-phenylprop-2-enylidene]amino]pentanedioate?
The canonical SMILES for dipotassium;(2S)-2-[[(E)-3-phenylprop-2-enylidene]amino]pentanedioate is O=C([O-])CC[C@H](/N=C/C=C/c1ccccc1)C(=O)[O-].[K+].[K+].
What is the InChIKey of dipotassium;(2S)-2-[[(E)-3-phenylprop-2-enylidene]amino]pentanedioate?
The InChIKey is QBQDGWODRUWDJM-QTKGLFLTSA-L. The full InChI is InChI=1S/C14H15NO4.2K/c16-13(17)9-8-12(14(18)19)15-10-4-7-11-5-2-1-3-6-11;;/h1-7,10,12H,8-9H2,(H,16,17)(H,18,19);;/q;2*+1/p-2/b7-4+,15-10+;;/t12-;;/m0../s1.
What are the key properties of dipotassium;(2S)-2-[[(E)-3-phenylprop-2-enylidene]amino]pentanedioate?
dipotassium;(2S)-2-[[(E)-3-phenylprop-2-enylidene]amino]pentanedioate has a molecular weight of 337.46 g/mol, XLogP of -6.57, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;(2S)-2-[[(E)-3-phenylprop-2-enylidene]amino]pentanedioate is sourced from PubChem (CID 127037044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).