potassium (2S)-3-(4-hydroxyphenyl)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enylidene]amino]propanoate

C19H18KNO4 — CID 127036372

IUPACpotassium (2S)-3-(4-hydroxyphenyl)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enylidene]amino]propanoate
SMILESCOc1ccc(/C=C/C=N/[C@@H](Cc2ccc(O)cc2)C(=O)[O-])cc1.[K+]
InChIInChI=1S/C19H19NO4.K/c1-24-17-10-6-14(7-11-17)3-2-12-20-18(19(22)23)13-15-4-8-16(21)9-5-15;/h2-12,18,21H,13H2,1H3,(H,22,23);/q;+1/p-1/b3-2+,20-12+;/t18-;/m0./s1
InChIKeyHRFKLJSMPSKVHX-OXPRCNRJSA-M
MW363.45 g/mol
LogP-1.15
Rot. Bonds7

About potassium (2S)-3-(4-hydroxyphenyl)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enylidene]amino]propanoate

potassium (2S)-3-(4-hydroxyphenyl)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enylidene]amino]propanoate (PubChem CID 127036372) has the molecular formula C19H18KNO4 and a molecular weight of 363.45 g/mol. Its IUPAC name is potassium (2S)-3-(4-hydroxyphenyl)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enylidene]amino]propanoate.

Molecular Properties

Compound Namepotassium (2S)-3-(4-hydroxyphenyl)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enylidene]amino]propanoate
PubChem CID127036372
Molecular FormulaC19H18KNO4
Molecular Weight363.45 g/mol
Exact Mass363.09
IUPAC Namepotassium (2S)-3-(4-hydroxyphenyl)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enylidene]amino]propanoate
SMILESCOc1ccc(/C=C/C=N/[C@@H](Cc2ccc(O)cc2)C(=O)[O-])cc1.[K+]
InChIInChI=1S/C19H19NO4.K/c1-24-17-10-6-14(7-11-17)3-2-12-20-18(19(22)23)13-15-4-8-16(21)9-5-15;/h2-12,18,21H,13H2,1H3,(H,22,23);/q;+1/p-1/b3-2+,20-12+;/t18-;/m0./s1
InChIKeyHRFKLJSMPSKVHX-OXPRCNRJSA-M
XLogP-1.15
TPSA81.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 5-1.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

potassium (2S)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enylidene]amino]-3-phenylpropanoate
CID 127037387
methyl 3-[[(E)-3-(4-methoxyphenyl)prop-2-enylidene]amino]butanoate
CID 24752690
tert-butyl (2S)-3-(4-hydroxyphenyl)-2-[(4-methoxyphenyl)methylamino]propanoate
CID 178183360
methyl N-[(E)-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]amino]carbamate
CID 90120952
N-[(4-hydroxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 968721
cesium 3-(4-hydroxyphenyl)-2-methoxypropanoate
CID 87864790
1-(2,6-dihydroxy-4-methoxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one
CID 85370109
methyl (2S)-2-[(4-hydroxyphenyl)methylideneamino]-3-phenylpropanoate
CID 135404719
3-(4-methoxyphenyl)-2-methylpropanoic acid
CID 10535804
(2E,4E)-5-(4-methoxyphenyl)penta-2,4-dien-1-ol
CID 2253109
methyl (2R)-3-(4-methoxyphenyl)-2-(methylamino)propanoate
CID 10889521
methyl (2S)-2-(hydroxyamino)-3-(4-methoxyphenyl)propanoate
CID 10955237

Frequently Asked Questions

What is the IUPAC name of potassium (2S)-3-(4-hydroxyphenyl)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enylidene]amino]propanoate?
The IUPAC name of potassium (2S)-3-(4-hydroxyphenyl)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enylidene]amino]propanoate (CID 127036372) is potassium (2S)-3-(4-hydroxyphenyl)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enylidene]amino]propanoate.
What is the SMILES notation for potassium (2S)-3-(4-hydroxyphenyl)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enylidene]amino]propanoate?
The canonical SMILES for potassium (2S)-3-(4-hydroxyphenyl)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enylidene]amino]propanoate is COc1ccc(/C=C/C=N/[C@@H](Cc2ccc(O)cc2)C(=O)[O-])cc1.[K+].
What is the InChIKey of potassium (2S)-3-(4-hydroxyphenyl)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enylidene]amino]propanoate?
The InChIKey is HRFKLJSMPSKVHX-OXPRCNRJSA-M. The full InChI is InChI=1S/C19H19NO4.K/c1-24-17-10-6-14(7-11-17)3-2-12-20-18(19(22)23)13-15-4-8-16(21)9-5-15;/h2-12,18,21H,13H2,1H3,(H,22,23);/q;+1/p-1/b3-2+,20-12+;/t18-;/m0./s1.
What are the key properties of potassium (2S)-3-(4-hydroxyphenyl)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enylidene]amino]propanoate?
potassium (2S)-3-(4-hydroxyphenyl)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enylidene]amino]propanoate has a molecular weight of 363.45 g/mol, XLogP of -1.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (2S)-3-(4-hydroxyphenyl)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enylidene]amino]propanoate is sourced from PubChem (CID 127036372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).