potassium (2S)-4-methyl-2-[[(E)-3-phenylprop-2-enylidene]amino]pentanoate

C15H18KNO2 — CID 127037155

IUPACpotassium (2S)-4-methyl-2-[[(E)-3-phenylprop-2-enylidene]amino]pentanoate
SMILESCC(C)C[C@H](/N=C/C=C/c1ccccc1)C(=O)[O-].[K+]
InChIInChI=1S/C15H19NO2.K/c1-12(2)11-14(15(17)18)16-10-6-9-13-7-4-3-5-8-13;/h3-10,12,14H,11H2,1-2H3,(H,17,18);/q;+1/p-1/b9-6+,16-10+;/t14-;/m0./s1
InChIKeyLGOLAVWECGTXAH-RTBPGXBSSA-M
MW283.41 g/mol
LogP-1.06
Rot. Bonds6

About potassium (2S)-4-methyl-2-[[(E)-3-phenylprop-2-enylidene]amino]pentanoate

potassium (2S)-4-methyl-2-[[(E)-3-phenylprop-2-enylidene]amino]pentanoate (PubChem CID 127037155) has the molecular formula C15H18KNO2 and a molecular weight of 283.41 g/mol. Its IUPAC name is potassium (2S)-4-methyl-2-[[(E)-3-phenylprop-2-enylidene]amino]pentanoate.

Molecular Properties

Compound Namepotassium (2S)-4-methyl-2-[[(E)-3-phenylprop-2-enylidene]amino]pentanoate
PubChem CID127037155
Molecular FormulaC15H18KNO2
Molecular Weight283.41 g/mol
Exact Mass283.10
IUPAC Namepotassium (2S)-4-methyl-2-[[(E)-3-phenylprop-2-enylidene]amino]pentanoate
SMILESCC(C)C[C@H](/N=C/C=C/c1ccccc1)C(=O)[O-].[K+]
InChIInChI=1S/C15H19NO2.K/c1-12(2)11-14(15(17)18)16-10-6-9-13-7-4-3-5-8-13;/h3-10,12,14H,11H2,1-2H3,(H,17,18);/q;+1/p-1/b9-6+,16-10+;/t14-;/m0./s1
InChIKeyLGOLAVWECGTXAH-RTBPGXBSSA-M
XLogP-1.06
TPSA52.49 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 5-1.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of potassium (2S)-4-methyl-2-[[(E)-3-phenylprop-2-enylidene]amino]pentanoate?
The IUPAC name of potassium (2S)-4-methyl-2-[[(E)-3-phenylprop-2-enylidene]amino]pentanoate (CID 127037155) is potassium (2S)-4-methyl-2-[[(E)-3-phenylprop-2-enylidene]amino]pentanoate.
What is the SMILES notation for potassium (2S)-4-methyl-2-[[(E)-3-phenylprop-2-enylidene]amino]pentanoate?
The canonical SMILES for potassium (2S)-4-methyl-2-[[(E)-3-phenylprop-2-enylidene]amino]pentanoate is CC(C)C[C@H](/N=C/C=C/c1ccccc1)C(=O)[O-].[K+].
What is the InChIKey of potassium (2S)-4-methyl-2-[[(E)-3-phenylprop-2-enylidene]amino]pentanoate?
The InChIKey is LGOLAVWECGTXAH-RTBPGXBSSA-M. The full InChI is InChI=1S/C15H19NO2.K/c1-12(2)11-14(15(17)18)16-10-6-9-13-7-4-3-5-8-13;/h3-10,12,14H,11H2,1-2H3,(H,17,18);/q;+1/p-1/b9-6+,16-10+;/t14-;/m0./s1.
What are the key properties of potassium (2S)-4-methyl-2-[[(E)-3-phenylprop-2-enylidene]amino]pentanoate?
potassium (2S)-4-methyl-2-[[(E)-3-phenylprop-2-enylidene]amino]pentanoate has a molecular weight of 283.41 g/mol, XLogP of -1.06, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (2S)-4-methyl-2-[[(E)-3-phenylprop-2-enylidene]amino]pentanoate is sourced from PubChem (CID 127037155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).