5-fluoro-3-[2-(10-methylphenazine-5-carbonyl)oxypropanoylamino]-4-oxopentanoic acid

C22H22FN3O6 — CID 23535529

IUPAC5-fluoro-3-[2-(10-methylphenazine-5-carbonyl)oxypropanoylamino]-4-oxopentanoic acid
SMILESCC(OC(=O)N1c2ccccc2N(C)c2ccccc21)C(=O)NC(CC(=O)O)C(=O)CF
InChIInChI=1S/C22H22FN3O6/c1-13(21(30)24-14(11-20(28)29)19(27)12-23)32-22(31)26-17-9-5-3-7-15(17)25(2)16-8-4-6-10-18(16)26/h3-10,13-14H,11-12H2,1-2H3,(H,24,30)(H,28,29)
InChIKeyZCWLETCBIXPYFA-UHFFFAOYSA-N
MW443.43 g/mol
LogP2.93
Rot. Bonds7

About 5-fluoro-3-[2-(10-methylphenazine-5-carbonyl)oxypropanoylamino]-4-oxopentanoic acid

5-fluoro-3-[2-(10-methylphenazine-5-carbonyl)oxypropanoylamino]-4-oxopentanoic acid (PubChem CID 23535529) has the molecular formula C22H22FN3O6 and a molecular weight of 443.43 g/mol. Its IUPAC name is 5-fluoro-3-[2-(10-methylphenazine-5-carbonyl)oxypropanoylamino]-4-oxopentanoic acid.

Molecular Properties

Compound Name5-fluoro-3-[2-(10-methylphenazine-5-carbonyl)oxypropanoylamino]-4-oxopentanoic acid
PubChem CID23535529
Molecular FormulaC22H22FN3O6
Molecular Weight443.43 g/mol
Exact Mass443.15
IUPAC Name5-fluoro-3-[2-(10-methylphenazine-5-carbonyl)oxypropanoylamino]-4-oxopentanoic acid
SMILESCC(OC(=O)N1c2ccccc2N(C)c2ccccc21)C(=O)NC(CC(=O)O)C(=O)CF
InChIInChI=1S/C22H22FN3O6/c1-13(21(30)24-14(11-20(28)29)19(27)12-23)32-22(31)26-17-9-5-3-7-15(17)25(2)16-8-4-6-10-18(16)26/h3-10,13-14H,11-12H2,1-2H3,(H,24,30)(H,28,29)
InChIKeyZCWLETCBIXPYFA-UHFFFAOYSA-N
XLogP2.93
TPSA116.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.43
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-fluoro-3-[2-(10-methylphenazine-5-carbonyl)oxypropanoylamino]-4-oxopentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[(2S)-2-(5,6-dihydrobenzo[b][1]benzazepine-11-carbonyloxy)-3-methylbutanoyl]amino]-5-fluoro-4-oxopentanoic acid
CID 58665782
3-[[2-(3-chlorophenothiazine-10-carbonyl)oxy-3-methylbutanoyl]amino]-5-fluoro-4-oxopentanoic acid
CID 20620047
3-[[(2S)-4-benzo[b][1]benzazepin-11-yl-4-oxo-2-propan-2-ylbutanoyl]amino]-5-fluoro-4-oxopentanoic acid
CID 10226854
5-fluoro-3-[[(2S)-4-(9-hydroxy-9H-acridin-10-yl)-4-oxo-2-propan-2-ylbutanoyl]amino]-4-oxopentanoic acid
CID 10298882
3-[[(2S)-4-(10-cyclopropylphenazin-5-yl)-4-oxo-2-propan-2-ylbutanoyl]amino]-5-fluoro-4-oxopentanoic acid
CID 10117528
5-fluoro-3-[[(2R)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]-4-oxopentanoic acid
CID 133109194
5-fluoro-3-[[3-methyl-2-[[2-(5-methyl-2-phenoxyphenyl)acetyl]amino]butanoyl]amino]-4-oxopentanoic acid
CID 76839521
3-[[2-(2-chlorocarbazole-9-carbonyl)oxy-3-methylbutanoyl]amino]-5-fluoro-4-oxopentanoic acid
CID 20620041
3-[[(2S)-4-carbazol-9-yl-4-oxo-2-propan-2-ylbutanoyl]amino]-5-fluoro-4-oxopentanoic acid;praseodymium
CID 59067088
5-fluoro-3-[[(2S)-2-[[2-(5-(125I)iodo-2-phenoxyphenyl)acetyl]amino]-3-methylbutanoyl]amino]-4-oxopentanoic acid
CID 10257668
ethane;5-fluoro-3-[(2-formyloxyacetyl)amino]-4-oxopentanoic acid;9-methylcarbazole
CID 142088482
(4R)-5-[[(2R)-1-[[(2S)-1-carboxy-4-fluoro-3-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxo-4-[[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]pentanoic acid
CID 125352339

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-[2-(10-methylphenazine-5-carbonyl)oxypropanoylamino]-4-oxopentanoic acid?
The IUPAC name of 5-fluoro-3-[2-(10-methylphenazine-5-carbonyl)oxypropanoylamino]-4-oxopentanoic acid (CID 23535529) is 5-fluoro-3-[2-(10-methylphenazine-5-carbonyl)oxypropanoylamino]-4-oxopentanoic acid.
What is the SMILES notation for 5-fluoro-3-[2-(10-methylphenazine-5-carbonyl)oxypropanoylamino]-4-oxopentanoic acid?
The canonical SMILES for 5-fluoro-3-[2-(10-methylphenazine-5-carbonyl)oxypropanoylamino]-4-oxopentanoic acid is CC(OC(=O)N1c2ccccc2N(C)c2ccccc21)C(=O)NC(CC(=O)O)C(=O)CF.
What is the InChIKey of 5-fluoro-3-[2-(10-methylphenazine-5-carbonyl)oxypropanoylamino]-4-oxopentanoic acid?
The InChIKey is ZCWLETCBIXPYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O6/c1-13(21(30)24-14(11-20(28)29)19(27)12-23)32-22(31)26-17-9-5-3-7-15(17)25(2)16-8-4-6-10-18(16)26/h3-10,13-14H,11-12H2,1-2H3,(H,24,30)(H,28,29).
What are the key properties of 5-fluoro-3-[2-(10-methylphenazine-5-carbonyl)oxypropanoylamino]-4-oxopentanoic acid?
5-fluoro-3-[2-(10-methylphenazine-5-carbonyl)oxypropanoylamino]-4-oxopentanoic acid has a molecular weight of 443.43 g/mol, XLogP of 2.93, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-[2-(10-methylphenazine-5-carbonyl)oxypropanoylamino]-4-oxopentanoic acid is sourced from PubChem (CID 23535529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).