2-[[8-hydroxy-6-oxo-5-[(4-phenylphenyl)methyl]-5-azaspiro[3.5]non-7-ene-7-carbonyl]amino]acetic acid

C24H24N2O5 — CID 118176780

IUPAC2-[[8-hydroxy-6-oxo-5-[(4-phenylphenyl)methyl]-5-azaspiro[3.5]non-7-ene-7-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)C1=C(O)CC2(CCC2)N(Cc2ccc(-c3ccccc3)cc2)C1=O
InChIInChI=1S/C24H24N2O5/c27-19-13-24(11-4-12-24)26(23(31)21(19)22(30)25-14-20(28)29)15-16-7-9-18(10-8-16)17-5-2-1-3-6-17/h1-3,5-10,27H,4,11-15H2,(H,25,30)(H,28,29)
InChIKeyCNRYRQSPLUHEEH-UHFFFAOYSA-N
MW420.47 g/mol
LogP3.02
Rot. Bonds6

About 2-[[8-hydroxy-6-oxo-5-[(4-phenylphenyl)methyl]-5-azaspiro[3.5]non-7-ene-7-carbonyl]amino]acetic acid

2-[[8-hydroxy-6-oxo-5-[(4-phenylphenyl)methyl]-5-azaspiro[3.5]non-7-ene-7-carbonyl]amino]acetic acid (PubChem CID 118176780) has the molecular formula C24H24N2O5 and a molecular weight of 420.47 g/mol. Its IUPAC name is 2-[[8-hydroxy-6-oxo-5-[(4-phenylphenyl)methyl]-5-azaspiro[3.5]non-7-ene-7-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[8-hydroxy-6-oxo-5-[(4-phenylphenyl)methyl]-5-azaspiro[3.5]non-7-ene-7-carbonyl]amino]acetic acid
PubChem CID118176780
Molecular FormulaC24H24N2O5
Molecular Weight420.47 g/mol
Exact Mass420.17
IUPAC Name2-[[8-hydroxy-6-oxo-5-[(4-phenylphenyl)methyl]-5-azaspiro[3.5]non-7-ene-7-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)C1=C(O)CC2(CCC2)N(Cc2ccc(-c3ccccc3)cc2)C1=O
InChIInChI=1S/C24H24N2O5/c27-19-13-24(11-4-12-24)26(23(31)21(19)22(30)25-14-20(28)29)15-16-7-9-18(10-8-16)17-5-2-1-3-6-17/h1-3,5-10,27H,4,11-15H2,(H,25,30)(H,28,29)
InChIKeyCNRYRQSPLUHEEH-UHFFFAOYSA-N
XLogP3.02
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Analyze 2-[[8-hydroxy-6-oxo-5-[(4-phenylphenyl)methyl]-5-azaspiro[3.5]non-7-ene-7-carbonyl]amino]acetic acid with MolForge

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Launch Full Analysis

Related Compounds

2-[[1-Benzyl-5-(benzylcarbamoyl)-4,6-dihydroxy-2-oxopyridine-3-carbonyl]amino]acetic acid
CID 58238046
2-[[4-Hydroxy-3-methyl-6-oxo-1-[(4-phenylphenyl)methyl]-2,3-dihydropyridine-5-carbonyl]amino]acetic acid
CID 118113294
2-[[4-Hydroxy-2-oxo-1-[(4-phenylphenyl)methyl]-1-azaspiro[5.5]undec-3-ene-3-carbonyl]amino]acetic acid
CID 118176775
2-[[4-Hydroxy-6-oxo-1-[(4-phenylphenyl)methyl]-2,3-dihydropyridine-5-carbonyl]amino]acetic acid
CID 118176782
2-[[4-Hydroxy-2-methyl-6-oxo-1-[(4-phenylphenyl)methyl]-2,3-dihydropyridine-5-carbonyl]amino]acetic acid
CID 118176787
2-[[4-Hydroxy-6-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydropyridine-5-carbonyl]amino]acetic acid
CID 118176791
2-[[4-Hydroxy-1-[(4-methylphenyl)methyl]-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid
CID 118176811
2-[[1-[[4-(4,4-Difluorocyclohexen-1-yl)phenyl]methyl]-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid
CID 118113194
Sodium;2-[[1-[[4-(4,4-difluorocyclohexen-1-yl)phenyl]methyl]-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetate
CID 118113195
2-[[9-Benzyl-4-hydroxy-2-oxo-1-[(4-phenylphenyl)methyl]-1,9-diazaspiro[5.5]undec-3-ene-3-carbonyl]amino]acetic acid;2,2,2-trifluoroacetic acid
CID 118113220
2-[[1-[1-[4-(4-Fluorophenyl)phenyl]-2-hydroxyethyl]-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid
CID 118113228
Tert-butyl 2-[[4-hydroxy-2-oxo-1-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]-9-oxa-1-azaspiro[5.5]undec-3-ene-3-carbonyl]amino]acetate
CID 118113380

Frequently Asked Questions

What is the IUPAC name of 2-[[8-hydroxy-6-oxo-5-[(4-phenylphenyl)methyl]-5-azaspiro[3.5]non-7-ene-7-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[8-hydroxy-6-oxo-5-[(4-phenylphenyl)methyl]-5-azaspiro[3.5]non-7-ene-7-carbonyl]amino]acetic acid (CID 118176780) is 2-[[8-hydroxy-6-oxo-5-[(4-phenylphenyl)methyl]-5-azaspiro[3.5]non-7-ene-7-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[8-hydroxy-6-oxo-5-[(4-phenylphenyl)methyl]-5-azaspiro[3.5]non-7-ene-7-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[8-hydroxy-6-oxo-5-[(4-phenylphenyl)methyl]-5-azaspiro[3.5]non-7-ene-7-carbonyl]amino]acetic acid is O=C(O)CNC(=O)C1=C(O)CC2(CCC2)N(Cc2ccc(-c3ccccc3)cc2)C1=O.
What is the InChIKey of 2-[[8-hydroxy-6-oxo-5-[(4-phenylphenyl)methyl]-5-azaspiro[3.5]non-7-ene-7-carbonyl]amino]acetic acid?
The InChIKey is CNRYRQSPLUHEEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O5/c27-19-13-24(11-4-12-24)26(23(31)21(19)22(30)25-14-20(28)29)15-16-7-9-18(10-8-16)17-5-2-1-3-6-17/h1-3,5-10,27H,4,11-15H2,(H,25,30)(H,28,29).
What are the key properties of 2-[[8-hydroxy-6-oxo-5-[(4-phenylphenyl)methyl]-5-azaspiro[3.5]non-7-ene-7-carbonyl]amino]acetic acid?
2-[[8-hydroxy-6-oxo-5-[(4-phenylphenyl)methyl]-5-azaspiro[3.5]non-7-ene-7-carbonyl]amino]acetic acid has a molecular weight of 420.47 g/mol, XLogP of 3.02, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[8-hydroxy-6-oxo-5-[(4-phenylphenyl)methyl]-5-azaspiro[3.5]non-7-ene-7-carbonyl]amino]acetic acid is sourced from PubChem (CID 118176780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).