5-fluoro-4-oxo-3-[[2-(6H-phenanthridine-5-carbonyloxy)acetyl]amino]pentanoic acid

C21H19FN2O6 — CID 142088469

IUPAC5-fluoro-4-oxo-3-[[2-(6H-phenanthridine-5-carbonyloxy)acetyl]amino]pentanoic acid
SMILESO=C(O)CC(NC(=O)COC(=O)N1Cc2ccccc2-c2ccccc21)C(=O)CF
InChIInChI=1S/C21H19FN2O6/c22-10-18(25)16(9-20(27)28)23-19(26)12-30-21(29)24-11-13-5-1-2-6-14(13)15-7-3-4-8-17(15)24/h1-8,16H,9-12H2,(H,23,26)(H,27,28)
InChIKeyMTLGDSSZCRCXDY-UHFFFAOYSA-N
MW414.39 g/mol
LogP2.31
Rot. Bonds7

About 5-fluoro-4-oxo-3-[[2-(6H-phenanthridine-5-carbonyloxy)acetyl]amino]pentanoic acid

5-fluoro-4-oxo-3-[[2-(6H-phenanthridine-5-carbonyloxy)acetyl]amino]pentanoic acid (PubChem CID 142088469) has the molecular formula C21H19FN2O6 and a molecular weight of 414.39 g/mol. Its IUPAC name is 5-fluoro-4-oxo-3-[[2-(6H-phenanthridine-5-carbonyloxy)acetyl]amino]pentanoic acid.

Molecular Properties

Compound Name5-fluoro-4-oxo-3-[[2-(6H-phenanthridine-5-carbonyloxy)acetyl]amino]pentanoic acid
PubChem CID142088469
Molecular FormulaC21H19FN2O6
Molecular Weight414.39 g/mol
Exact Mass414.12
IUPAC Name5-fluoro-4-oxo-3-[[2-(6H-phenanthridine-5-carbonyloxy)acetyl]amino]pentanoic acid
SMILESO=C(O)CC(NC(=O)COC(=O)N1Cc2ccccc2-c2ccccc21)C(=O)CF
InChIInChI=1S/C21H19FN2O6/c22-10-18(25)16(9-20(27)28)23-19(26)12-30-21(29)24-11-13-5-1-2-6-14(13)15-7-3-4-8-17(15)24/h1-8,16H,9-12H2,(H,23,26)(H,27,28)
InChIKeyMTLGDSSZCRCXDY-UHFFFAOYSA-N
XLogP2.31
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.39
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-fluoro-4-oxo-3-[[2-(6H-phenanthridine-5-carbonyloxy)acetyl]amino]pentanoic acid with MolForge

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Related Compounds

3-[[(2S)-3-methyl-2-(6H-phenanthridine-5-carbonyloxy)butanoyl]amino]-4-oxohexanoic acid
CID 58665785
3-[[(2S)-2-(5,6-dihydrobenzo[b][1]benzazepine-11-carbonyloxy)-3-methylbutanoyl]amino]-5-fluoro-4-oxopentanoic acid
CID 58665782
ethane;5-fluoro-3-[(2-formyloxyacetyl)amino]-4-oxopentanoic acid;9-methylcarbazole
CID 142088482
6H-phenanthridine-5-carbonyl chloride
CID 86183224
5-fluoro-3-[2-(10-methylphenazine-5-carbonyl)oxypropanoylamino]-4-oxopentanoic acid
CID 23535529
[2-[(5-fluoro-1,4-dioxo-1-propoxypentan-3-yl)amino]-2-oxoethyl] carbazole-9-carboxylate;propane
CID 142088513
5-(6,7-dihydrobenzo[d][1]benzazepin-5-yl)-3-(hydroxymethyl)-5-oxopentanoic acid
CID 166300808
5-fluoro-3-[[(3S)-2-(2-naphthalen-1-yloxyacetyl)-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]-4-oxopentanoic acid
CID 58777120
3-[2-(5-amino-3-oxo-1H-isoindol-2-yl)butanoylamino]-5-fluoro-4-oxopentanoic acid
CID 170059701
3-[[(E)-1-(2-chlorophenothiazine-10-carbonyl)oxyhex-2-en-2-yl]amino]-5-fluoro-4-oxopentanoic acid
CID 142088442
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-benzo[b][1]benzazepin-11-yl-4-oxo-2-propan-2-ylbutanoyl]amino]-5-fluoro-4-oxopentanoic acid
CID 10226854

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-oxo-3-[[2-(6H-phenanthridine-5-carbonyloxy)acetyl]amino]pentanoic acid?
The IUPAC name of 5-fluoro-4-oxo-3-[[2-(6H-phenanthridine-5-carbonyloxy)acetyl]amino]pentanoic acid (CID 142088469) is 5-fluoro-4-oxo-3-[[2-(6H-phenanthridine-5-carbonyloxy)acetyl]amino]pentanoic acid.
What is the SMILES notation for 5-fluoro-4-oxo-3-[[2-(6H-phenanthridine-5-carbonyloxy)acetyl]amino]pentanoic acid?
The canonical SMILES for 5-fluoro-4-oxo-3-[[2-(6H-phenanthridine-5-carbonyloxy)acetyl]amino]pentanoic acid is O=C(O)CC(NC(=O)COC(=O)N1Cc2ccccc2-c2ccccc21)C(=O)CF.
What is the InChIKey of 5-fluoro-4-oxo-3-[[2-(6H-phenanthridine-5-carbonyloxy)acetyl]amino]pentanoic acid?
The InChIKey is MTLGDSSZCRCXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O6/c22-10-18(25)16(9-20(27)28)23-19(26)12-30-21(29)24-11-13-5-1-2-6-14(13)15-7-3-4-8-17(15)24/h1-8,16H,9-12H2,(H,23,26)(H,27,28).
What are the key properties of 5-fluoro-4-oxo-3-[[2-(6H-phenanthridine-5-carbonyloxy)acetyl]amino]pentanoic acid?
5-fluoro-4-oxo-3-[[2-(6H-phenanthridine-5-carbonyloxy)acetyl]amino]pentanoic acid has a molecular weight of 414.39 g/mol, XLogP of 2.31, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-oxo-3-[[2-(6H-phenanthridine-5-carbonyloxy)acetyl]amino]pentanoic acid is sourced from PubChem (CID 142088469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).