2-[[4-hydroxy-6-oxo-1-[(3-phenyl-1,2-oxazol-5-yl)methyl]-2,3-dihydropyridine-5-carbonyl]amino]acetic acid

C18H17N3O6 — CID 118176815

IUPAC2-[[4-hydroxy-6-oxo-1-[(3-phenyl-1,2-oxazol-5-yl)methyl]-2,3-dihydropyridine-5-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)C1=C(O)CCN(Cc2cc(-c3ccccc3)no2)C1=O
InChIInChI=1S/C18H17N3O6/c22-14-6-7-21(18(26)16(14)17(25)19-9-15(23)24)10-12-8-13(20-27-12)11-4-2-1-3-5-11/h1-5,8,22H,6-7,9-10H2,(H,19,25)(H,23,24)
InChIKeyNVSOGENOMSGHTA-UHFFFAOYSA-N
MW371.35 g/mol
LogP1.09
Rot. Bonds6

About 2-[[4-hydroxy-6-oxo-1-[(3-phenyl-1,2-oxazol-5-yl)methyl]-2,3-dihydropyridine-5-carbonyl]amino]acetic acid

2-[[4-hydroxy-6-oxo-1-[(3-phenyl-1,2-oxazol-5-yl)methyl]-2,3-dihydropyridine-5-carbonyl]amino]acetic acid (PubChem CID 118176815) has the molecular formula C18H17N3O6 and a molecular weight of 371.35 g/mol. Its IUPAC name is 2-[[4-hydroxy-6-oxo-1-[(3-phenyl-1,2-oxazol-5-yl)methyl]-2,3-dihydropyridine-5-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[4-hydroxy-6-oxo-1-[(3-phenyl-1,2-oxazol-5-yl)methyl]-2,3-dihydropyridine-5-carbonyl]amino]acetic acid
PubChem CID118176815
Molecular FormulaC18H17N3O6
Molecular Weight371.35 g/mol
Exact Mass371.11
IUPAC Name2-[[4-hydroxy-6-oxo-1-[(3-phenyl-1,2-oxazol-5-yl)methyl]-2,3-dihydropyridine-5-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)C1=C(O)CCN(Cc2cc(-c3ccccc3)no2)C1=O
InChIInChI=1S/C18H17N3O6/c22-14-6-7-21(18(26)16(14)17(25)19-9-15(23)24)10-12-8-13(20-27-12)11-4-2-1-3-5-11/h1-5,8,22H,6-7,9-10H2,(H,19,25)(H,23,24)
InChIKeyNVSOGENOMSGHTA-UHFFFAOYSA-N
XLogP1.09
TPSA132.97 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.35
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[[4-hydroxy-6-oxo-1-[(3-phenyl-1,2-oxazol-5-yl)methyl]-2,3-dihydropyridine-5-carbonyl]amino]acetic acid with MolForge

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Related Compounds

2-[[4-hydroxy-6-oxo-1-[[4-(4-phenylphenyl)phenyl]methyl]-2,3-dihydropyridine-5-carbonyl]amino]acetic acid
CID 118177165
2-[[1-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-4-hydroxy-2,2-dimethyl-6-oxo-3H-pyridine-5-carbonyl]amino]acetic acid
CID 118176976
4-[[5-(carboxymethylcarbamoyl)-4-hydroxy-6-oxo-2,3-dihydropyridin-1-yl]methyl]benzoic acid
CID 118177074
2-[[1-[[4-(carboxymethoxy)phenyl]methyl]-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid
CID 118177078
2-[[4-hydroxy-6-oxo-1-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)-2,3-dihydropyridine-5-carbonyl]amino]acetic acid
CID 118176816
2-[[1-[(4-fluorophenyl)methyl]-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid
CID 118176904
2-[[4-hydroxy-1-[(4-methylphenyl)methyl]-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid
CID 118176811
2-[[1-[(4-ethylphenyl)methyl]-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid
CID 118176826
2-[[4-hydroxy-1-[[6-(3-methoxyphenyl)-3-pyridinyl]methyl]-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid
CID 118177202
2-[[4-hydroxy-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydropyridine-5-carbonyl]amino]acetic acid
CID 118176825
2-[[1-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid
CID 118176917
2-[[4-hydroxy-6-oxo-1-[(4-pyrimidin-2-yloxyphenyl)methyl]-2,3-dihydropyridine-5-carbonyl]amino]acetic acid
CID 73052861

Frequently Asked Questions

What is the IUPAC name of 2-[[4-hydroxy-6-oxo-1-[(3-phenyl-1,2-oxazol-5-yl)methyl]-2,3-dihydropyridine-5-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[4-hydroxy-6-oxo-1-[(3-phenyl-1,2-oxazol-5-yl)methyl]-2,3-dihydropyridine-5-carbonyl]amino]acetic acid (CID 118176815) is 2-[[4-hydroxy-6-oxo-1-[(3-phenyl-1,2-oxazol-5-yl)methyl]-2,3-dihydropyridine-5-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[4-hydroxy-6-oxo-1-[(3-phenyl-1,2-oxazol-5-yl)methyl]-2,3-dihydropyridine-5-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[4-hydroxy-6-oxo-1-[(3-phenyl-1,2-oxazol-5-yl)methyl]-2,3-dihydropyridine-5-carbonyl]amino]acetic acid is O=C(O)CNC(=O)C1=C(O)CCN(Cc2cc(-c3ccccc3)no2)C1=O.
What is the InChIKey of 2-[[4-hydroxy-6-oxo-1-[(3-phenyl-1,2-oxazol-5-yl)methyl]-2,3-dihydropyridine-5-carbonyl]amino]acetic acid?
The InChIKey is NVSOGENOMSGHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O6/c22-14-6-7-21(18(26)16(14)17(25)19-9-15(23)24)10-12-8-13(20-27-12)11-4-2-1-3-5-11/h1-5,8,22H,6-7,9-10H2,(H,19,25)(H,23,24).
What are the key properties of 2-[[4-hydroxy-6-oxo-1-[(3-phenyl-1,2-oxazol-5-yl)methyl]-2,3-dihydropyridine-5-carbonyl]amino]acetic acid?
2-[[4-hydroxy-6-oxo-1-[(3-phenyl-1,2-oxazol-5-yl)methyl]-2,3-dihydropyridine-5-carbonyl]amino]acetic acid has a molecular weight of 371.35 g/mol, XLogP of 1.09, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-hydroxy-6-oxo-1-[(3-phenyl-1,2-oxazol-5-yl)methyl]-2,3-dihydropyridine-5-carbonyl]amino]acetic acid is sourced from PubChem (CID 118176815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).