[3-carboxy-4-hydroxy-6-(4-phenylphenyl)hexyl]azanide;rutherfordium

C19H22NO3Rf- — CID 89244514

IUPAC[3-carboxy-4-hydroxy-6-(4-phenylphenyl)hexyl]azanide;rutherfordium
SMILES[NH-]CCC(C(=O)O)C(O)CCc1ccc(-c2ccccc2)cc1.[Rf]
InChIInChI=1S/C19H22NO3.Rf/c20-13-12-17(19(22)23)18(21)11-8-14-6-9-16(10-7-14)15-4-2-1-3-5-15;/h1-7,9-10,17-18,20-21H,8,11-13H2,(H,22,23);/q-1;
InChIKeyBHTZWGVFKMGQAG-UHFFFAOYSA-N
MW579.39 g/mol
LogP3.79
Rot. Bonds8

About [3-carboxy-4-hydroxy-6-(4-phenylphenyl)hexyl]azanide;rutherfordium

[3-carboxy-4-hydroxy-6-(4-phenylphenyl)hexyl]azanide;rutherfordium (PubChem CID 89244514) has the molecular formula C19H22NO3Rf- and a molecular weight of 579.39 g/mol. Its IUPAC name is [3-carboxy-4-hydroxy-6-(4-phenylphenyl)hexyl]azanide;rutherfordium.

Molecular Properties

Compound Name[3-carboxy-4-hydroxy-6-(4-phenylphenyl)hexyl]azanide;rutherfordium
PubChem CID89244514
Molecular FormulaC19H22NO3Rf-
Molecular Weight579.39 g/mol
Exact Mass579.28
IUPAC Name[3-carboxy-4-hydroxy-6-(4-phenylphenyl)hexyl]azanide;rutherfordium
SMILES[NH-]CCC(C(=O)O)C(O)CCc1ccc(-c2ccccc2)cc1.[Rf]
InChIInChI=1S/C19H22NO3.Rf/c20-13-12-17(19(22)23)18(21)11-8-14-6-9-16(10-7-14)15-4-2-1-3-5-15;/h1-7,9-10,17-18,20-21H,8,11-13H2,(H,22,23);/q-1;
InChIKeyBHTZWGVFKMGQAG-UHFFFAOYSA-N
XLogP3.79
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500579.39
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 144791729
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CID 68961176
(2R,3R)-2-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-hydroxy-5-[4-(4-methoxyphenyl)phenyl]pentanoic acid
CID 68954998
5-[4-(3-chloro-4-fluorophenyl)phenyl]-2-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-hydroxypentanoic acid
CID 69245608
2-[2-[(2-formylbenzoyl)amino]ethyl]-3-hydroxy-5-[4-(4-hydroxyphenyl)phenyl]pentanoic acid
CID 88961361
1,1,1-trifluoro-4-(4-phenylphenyl)butan-2-amine
CID 132588713
2-methyl-5-(4-phenylphenyl)pentanoic acid
CID 56631136
(2S)-2-amino-3-(2-phenylethyl)butanedioic acid
CID 58900334
(2S,3S)-2-amino-3-(2-phenylethyl)butanedioic acid
CID 11218609
(2S,3R)-5-[4-(4-ethylphenyl)phenyl]-3-hydroxy-2-[2-(4-oxo-1,2,3-benzotriazin-3-yl)ethyl]pentanoic acid
CID 67183047
2-[2-(1,3-dioxoisoindol-2-yl)ethyl]-5-[4-(2-fluoro-3-methoxyphenyl)phenyl]-3-hydroxypentanoic acid
CID 11854669
(2S,3R)-5-[3-(4-chlorophenyl)-4-fluorophenyl]-2-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-hydroxypentanoic acid
CID 67182806

Frequently Asked Questions

What is the IUPAC name of [3-carboxy-4-hydroxy-6-(4-phenylphenyl)hexyl]azanide;rutherfordium?
The IUPAC name of [3-carboxy-4-hydroxy-6-(4-phenylphenyl)hexyl]azanide;rutherfordium (CID 89244514) is [3-carboxy-4-hydroxy-6-(4-phenylphenyl)hexyl]azanide;rutherfordium.
What is the SMILES notation for [3-carboxy-4-hydroxy-6-(4-phenylphenyl)hexyl]azanide;rutherfordium?
The canonical SMILES for [3-carboxy-4-hydroxy-6-(4-phenylphenyl)hexyl]azanide;rutherfordium is [NH-]CCC(C(=O)O)C(O)CCc1ccc(-c2ccccc2)cc1.[Rf].
What is the InChIKey of [3-carboxy-4-hydroxy-6-(4-phenylphenyl)hexyl]azanide;rutherfordium?
The InChIKey is BHTZWGVFKMGQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22NO3.Rf/c20-13-12-17(19(22)23)18(21)11-8-14-6-9-16(10-7-14)15-4-2-1-3-5-15;/h1-7,9-10,17-18,20-21H,8,11-13H2,(H,22,23);/q-1;.
What are the key properties of [3-carboxy-4-hydroxy-6-(4-phenylphenyl)hexyl]azanide;rutherfordium?
[3-carboxy-4-hydroxy-6-(4-phenylphenyl)hexyl]azanide;rutherfordium has a molecular weight of 579.39 g/mol, XLogP of 3.79, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-carboxy-4-hydroxy-6-(4-phenylphenyl)hexyl]azanide;rutherfordium is sourced from PubChem (CID 89244514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).