2-benzamido-4-methylpentanoic acid;platinum(4+);2-pyridin-2-ylpyridine;hydrate

C23H27N3O4Pt+4 — CID 51041763

IUPAC2-benzamido-4-methylpentanoic acid;platinum(4+);2-pyridin-2-ylpyridine;hydrate
SMILESCC(C)CC(NC(=O)c1ccccc1)C(=O)O.O.[Pt+4].c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C13H17NO3.C10H8N2.H2O.Pt/c1-9(2)8-11(13(16)17)14-12(15)10-6-4-3-5-7-10;1-3-7-11-9(5-1)10-6-2-4-8-12-10;;/h3-7,9,11H,8H2,1-2H3,(H,14,15)(H,16,17);1-8H;1H2;/q;;;+4
InChIKeyGVBFDGFABGCENN-UHFFFAOYSA-N
MW604.56 g/mol
LogP3.23
Rot. Bonds6

About 2-benzamido-4-methylpentanoic acid;platinum(4+);2-pyridin-2-ylpyridine;hydrate

2-benzamido-4-methylpentanoic acid;platinum(4+);2-pyridin-2-ylpyridine;hydrate (PubChem CID 51041763) has the molecular formula C23H27N3O4Pt+4 and a molecular weight of 604.56 g/mol. Its IUPAC name is 2-benzamido-4-methylpentanoic acid;platinum(4+);2-pyridin-2-ylpyridine;hydrate.

Molecular Properties

Compound Name2-benzamido-4-methylpentanoic acid;platinum(4+);2-pyridin-2-ylpyridine;hydrate
PubChem CID51041763
Molecular FormulaC23H27N3O4Pt+4
Molecular Weight604.56 g/mol
Exact Mass604.16
IUPAC Name2-benzamido-4-methylpentanoic acid;platinum(4+);2-pyridin-2-ylpyridine;hydrate
SMILESCC(C)CC(NC(=O)c1ccccc1)C(=O)O.O.[Pt+4].c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C13H17NO3.C10H8N2.H2O.Pt/c1-9(2)8-11(13(16)17)14-12(15)10-6-4-3-5-7-10;1-3-7-11-9(5-1)10-6-2-4-8-12-10;;/h3-7,9,11H,8H2,1-2H3,(H,14,15)(H,16,17);1-8H;1H2;/q;;;+4
InChIKeyGVBFDGFABGCENN-UHFFFAOYSA-N
XLogP3.23
TPSA123.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500604.56
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

bis(2-benzamido-3-phenylpropanoic acid);bis(platinum(4+));bis(2-pyridin-2-ylpyridine);nonahydrate
CID 51041539
4-methyl-2-[(4-phenylbenzoyl)amino]pentanoic acid
CID 17380410
4-methyl-2-(pyridine-4-carbonylamino)pentanoic acid
CID 16777118
2-[(4-benzamidobenzoyl)amino]-4-methylpentanoic acid
CID 119188161
(2R)-4-methyl-2-[(2-oxo-6-pyridin-2-yl-1H-pyridine-3-carbonyl)amino]pentanoic acid
CID 119363027
4-methyl-2-[[4-(phenylcarbamoyl)benzoyl]amino]pentanoic acid
CID 120516103
(2S)-2-[[(2R)-2-benzamido-3-phenylpropanoyl]amino]-4-methylpentanoic acid
CID 7324596
2-[(4-acetylbenzoyl)amino]-4-methylpentanoic acid
CID 119188047
2-benzamido-4-methyl-5-oxohexanoic acid
CID 139610506
(2S)-2-[(4-acetylbenzoyl)amino]-4-methylpentanoic acid
CID 119361717
(2S)-2-[[4-(4-hydroxyphenyl)benzoyl]amino]-4-methylpentanoic acid
CID 91416190
(2R)-2-[(4-aminobenzoyl)amino]-4-methylpentanoic acid
CID 78975427

Frequently Asked Questions

What is the IUPAC name of 2-benzamido-4-methylpentanoic acid;platinum(4+);2-pyridin-2-ylpyridine;hydrate?
The IUPAC name of 2-benzamido-4-methylpentanoic acid;platinum(4+);2-pyridin-2-ylpyridine;hydrate (CID 51041763) is 2-benzamido-4-methylpentanoic acid;platinum(4+);2-pyridin-2-ylpyridine;hydrate.
What is the SMILES notation for 2-benzamido-4-methylpentanoic acid;platinum(4+);2-pyridin-2-ylpyridine;hydrate?
The canonical SMILES for 2-benzamido-4-methylpentanoic acid;platinum(4+);2-pyridin-2-ylpyridine;hydrate is CC(C)CC(NC(=O)c1ccccc1)C(=O)O.O.[Pt+4].c1ccc(-c2ccccn2)nc1.
What is the InChIKey of 2-benzamido-4-methylpentanoic acid;platinum(4+);2-pyridin-2-ylpyridine;hydrate?
The InChIKey is GVBFDGFABGCENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3.C10H8N2.H2O.Pt/c1-9(2)8-11(13(16)17)14-12(15)10-6-4-3-5-7-10;1-3-7-11-9(5-1)10-6-2-4-8-12-10;;/h3-7,9,11H,8H2,1-2H3,(H,14,15)(H,16,17);1-8H;1H2;/q;;;+4.
What are the key properties of 2-benzamido-4-methylpentanoic acid;platinum(4+);2-pyridin-2-ylpyridine;hydrate?
2-benzamido-4-methylpentanoic acid;platinum(4+);2-pyridin-2-ylpyridine;hydrate has a molecular weight of 604.56 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzamido-4-methylpentanoic acid;platinum(4+);2-pyridin-2-ylpyridine;hydrate is sourced from PubChem (CID 51041763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).