(2R)-2-hydroxy-2-phenylacetic acid;tetrakis(pyridine-3-carboxamide)

C32H32N8O7 — CID 139122907

IUPAC(2R)-2-hydroxy-2-phenylacetic acid;tetrakis(pyridine-3-carboxamide)
SMILESNC(=O)c1cccnc1.NC(=O)c1cccnc1.NC(=O)c1cccnc1.NC(=O)c1cccnc1.O=C(O)[C@H](O)c1ccccc1
InChIInChI=1S/C8H8O3.4C6H6N2O/c9-7(8(10)11)6-4-2-1-3-5-6;4*7-6(9)5-2-1-3-8-4-5/h1-5,7,9H,(H,10,11);4*1-4H,(H2,7,9)/t7-;;;;/m1..../s1
InChIKeyTTXPEVQXHLAGTJ-GITXNKFESA-N
MW640.66 g/mol
LogP1.53
Rot. Bonds6

About (2R)-2-hydroxy-2-phenylacetic acid;tetrakis(pyridine-3-carboxamide)

(2R)-2-hydroxy-2-phenylacetic acid;tetrakis(pyridine-3-carboxamide) (PubChem CID 139122907) has the molecular formula C32H32N8O7 and a molecular weight of 640.66 g/mol. Its IUPAC name is (2R)-2-hydroxy-2-phenylacetic acid;tetrakis(pyridine-3-carboxamide).

Molecular Properties

Compound Name(2R)-2-hydroxy-2-phenylacetic acid;tetrakis(pyridine-3-carboxamide)
PubChem CID139122907
Molecular FormulaC32H32N8O7
Molecular Weight640.66 g/mol
Exact Mass640.24
IUPAC Name(2R)-2-hydroxy-2-phenylacetic acid;tetrakis(pyridine-3-carboxamide)
SMILESNC(=O)c1cccnc1.NC(=O)c1cccnc1.NC(=O)c1cccnc1.NC(=O)c1cccnc1.O=C(O)[C@H](O)c1ccccc1
InChIInChI=1S/C8H8O3.4C6H6N2O/c9-7(8(10)11)6-4-2-1-3-5-6;4*7-6(9)5-2-1-3-8-4-5/h1-5,7,9H,(H,10,11);4*1-4H,(H2,7,9)/t7-;;;;/m1..../s1
InChIKeyTTXPEVQXHLAGTJ-GITXNKFESA-N
XLogP1.53
TPSA281.45 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.66
LogP ≤ 51.53
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

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Related Compounds

[(3R)-1-[3-(pyridine-3-carbonylamino)propyl]-1-azoniabicyclo[2.2.2]octan-3-yl] 2-hydroxy-2,2-diphenylacetate;2,2,2-trifluoroacetate
CID 67496144
3-Aminobenzoic acid-1,2-bis(4-pyridyl)ethane (1/1)
CID 139078872
Aquabis(4-fluorobenzoato-kappaO)bis(nicotinamide-kappaN^1^)copper(II) nicotinamide hemisolvate trihydrate
CID 139082721
4-[(E)-2-(Pyridin-2-yl)ethenyl]pyridine-terephthalic acid (2/1)
CID 139084964
tetrakis((2R)-2-hydroxy-2-phenylacetic acid);bis(pyridine-3-carboxamide)
CID 139122932
tetrakis((2S)-2-[4-(2-methylpropyl)phenyl]propanoic acid);tetrakis(pyridine-3-carboxamide)
CID 139145268
(2R)-2-hydroxy-2-phenylacetic acid;pyridine-3-carboxamide
CID 139146134
Bis(benzene-1,3-dicarboxylic acid);bis(4-(2-pyridin-4-ylethyl)pyridine)
CID 139146857
Benzoic acid;bis(4-pyridin-4-ylpyridine)
CID 139146858
Benzoic acid;bis(pyridine-4-carboxamide)
CID 139147421
nicotinamide-D-mandelic acid (1/1)
CID 139194861
1:1 Pico:man
CID 139198136

Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-2-phenylacetic acid;tetrakis(pyridine-3-carboxamide)?
The IUPAC name of (2R)-2-hydroxy-2-phenylacetic acid;tetrakis(pyridine-3-carboxamide) (CID 139122907) is (2R)-2-hydroxy-2-phenylacetic acid;tetrakis(pyridine-3-carboxamide).
What is the SMILES notation for (2R)-2-hydroxy-2-phenylacetic acid;tetrakis(pyridine-3-carboxamide)?
The canonical SMILES for (2R)-2-hydroxy-2-phenylacetic acid;tetrakis(pyridine-3-carboxamide) is NC(=O)c1cccnc1.NC(=O)c1cccnc1.NC(=O)c1cccnc1.NC(=O)c1cccnc1.O=C(O)[C@H](O)c1ccccc1.
What is the InChIKey of (2R)-2-hydroxy-2-phenylacetic acid;tetrakis(pyridine-3-carboxamide)?
The InChIKey is TTXPEVQXHLAGTJ-GITXNKFESA-N. The full InChI is InChI=1S/C8H8O3.4C6H6N2O/c9-7(8(10)11)6-4-2-1-3-5-6;4*7-6(9)5-2-1-3-8-4-5/h1-5,7,9H,(H,10,11);4*1-4H,(H2,7,9)/t7-;;;;/m1..../s1.
What are the key properties of (2R)-2-hydroxy-2-phenylacetic acid;tetrakis(pyridine-3-carboxamide)?
(2R)-2-hydroxy-2-phenylacetic acid;tetrakis(pyridine-3-carboxamide) has a molecular weight of 640.66 g/mol, XLogP of 1.53, 6 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-2-phenylacetic acid;tetrakis(pyridine-3-carboxamide) is sourced from PubChem (CID 139122907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).