5-fluoro-3-[[(2S)-4-(9-hydroxy-9H-acridin-10-yl)-4-oxo-2-propan-2-ylbutanoyl]amino]-4-oxopentanoic acid

C25H27FN2O6 — CID 10298882

IUPAC5-fluoro-3-[[(2S)-4-(9-hydroxy-9H-acridin-10-yl)-4-oxo-2-propan-2-ylbutanoyl]amino]-4-oxopentanoic acid
SMILESCC(C)[C@H](CC(=O)N1c2ccccc2C(O)c2ccccc21)C(=O)NC(CC(=O)O)C(=O)CF
InChIInChI=1S/C25H27FN2O6/c1-14(2)17(25(34)27-18(12-23(31)32)21(29)13-26)11-22(30)28-19-9-5-3-7-15(19)24(33)16-8-4-6-10-20(16)28/h3-10,14,17-18,24,33H,11-13H2,1-2H3,(H,27,34)(H,31,32)/t17-,18?/m0/s1
InChIKeyOCCQQPKSPBUDHS-ZENAZSQFSA-N
MW470.50 g/mol
LogP2.91
Rot. Bonds9

About 5-fluoro-3-[[(2S)-4-(9-hydroxy-9H-acridin-10-yl)-4-oxo-2-propan-2-ylbutanoyl]amino]-4-oxopentanoic acid

5-fluoro-3-[[(2S)-4-(9-hydroxy-9H-acridin-10-yl)-4-oxo-2-propan-2-ylbutanoyl]amino]-4-oxopentanoic acid (PubChem CID 10298882) has the molecular formula C25H27FN2O6 and a molecular weight of 470.50 g/mol. Its IUPAC name is 5-fluoro-3-[[(2S)-4-(9-hydroxy-9H-acridin-10-yl)-4-oxo-2-propan-2-ylbutanoyl]amino]-4-oxopentanoic acid.

Molecular Properties

Compound Name5-fluoro-3-[[(2S)-4-(9-hydroxy-9H-acridin-10-yl)-4-oxo-2-propan-2-ylbutanoyl]amino]-4-oxopentanoic acid
PubChem CID10298882
Molecular FormulaC25H27FN2O6
Molecular Weight470.50 g/mol
Exact Mass470.19
IUPAC Name5-fluoro-3-[[(2S)-4-(9-hydroxy-9H-acridin-10-yl)-4-oxo-2-propan-2-ylbutanoyl]amino]-4-oxopentanoic acid
SMILESCC(C)[C@H](CC(=O)N1c2ccccc2C(O)c2ccccc21)C(=O)NC(CC(=O)O)C(=O)CF
InChIInChI=1S/C25H27FN2O6/c1-14(2)17(25(34)27-18(12-23(31)32)21(29)13-26)11-22(30)28-19-9-5-3-7-15(19)24(33)16-8-4-6-10-20(16)28/h3-10,14,17-18,24,33H,11-13H2,1-2H3,(H,27,34)(H,31,32)/t17-,18?/m0/s1
InChIKeyOCCQQPKSPBUDHS-ZENAZSQFSA-N
XLogP2.91
TPSA124.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.50
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[(2S)-4-benzo[b][1]benzazepin-11-yl-4-oxo-2-propan-2-ylbutanoyl]amino]-5-fluoro-4-oxopentanoic acid
CID 10226854
3-[[(2S)-4-(10-cyclopropylphenazin-5-yl)-4-oxo-2-propan-2-ylbutanoyl]amino]-5-fluoro-4-oxopentanoic acid
CID 10117528
3-[[(2S)-4-carbazol-9-yl-4-oxo-2-propan-2-ylbutanoyl]amino]-5-fluoro-4-oxopentanoic acid;praseodymium
CID 59067088
N-(1-fluoro-2,5-dioxopentan-3-yl)-4-oxo-4-(10H-phenazin-5-yl)-2-propan-2-ylbutanamide
CID 88935471
3-[[(2S)-4-(2,3-dichlorocarbazol-9-yl)-4-oxo-2-propan-2-ylbutanoyl]amino]-5-fluoro-4-oxopentanoic acid
CID 10301071
3-[[(2S)-4-(2-chlorocarbazol-9-yl)-4-oxo-2-propan-2-ylbutanoyl]amino]-5-fluoro-4-oxopentanoic acid
CID 10116368
3-[[(2R)-4-(3,6-dichlorocarbazol-9-yl)-4-oxo-2-propan-2-ylbutanoyl]amino]-5-fluoro-4-oxopentanoic acid
CID 135556521
5-fluoro-4-oxo-3-[[(2R)-4-oxo-2-propan-2-yl-4-pyrido[4,3-b]indol-5-ylbutanoyl]amino]pentanoic acid
CID 21241234
3-[[(2S)-2-(5,6-dihydrobenzo[b][1]benzazepine-11-carbonyloxy)-3-methylbutanoyl]amino]-5-fluoro-4-oxopentanoic acid
CID 58665782
5-fluoro-3-[2-(10-methylphenazine-5-carbonyl)oxypropanoylamino]-4-oxopentanoic acid
CID 23535529
propan-2-yl 3-[[(2R)-4-carbazol-9-yl-4-oxo-2-propan-2-ylbutanoyl]amino]-5-fluoro-4-oxopentanoate
CID 22871010
(2R)-4-carbazol-9-yl-N-[5-fluoro-1-(4-methylpiperazin-1-yl)-1,4-dioxopentan-3-yl]-4-oxo-2-propan-2-ylbutanamide
CID 22771099

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-[[(2S)-4-(9-hydroxy-9H-acridin-10-yl)-4-oxo-2-propan-2-ylbutanoyl]amino]-4-oxopentanoic acid?
The IUPAC name of 5-fluoro-3-[[(2S)-4-(9-hydroxy-9H-acridin-10-yl)-4-oxo-2-propan-2-ylbutanoyl]amino]-4-oxopentanoic acid (CID 10298882) is 5-fluoro-3-[[(2S)-4-(9-hydroxy-9H-acridin-10-yl)-4-oxo-2-propan-2-ylbutanoyl]amino]-4-oxopentanoic acid.
What is the SMILES notation for 5-fluoro-3-[[(2S)-4-(9-hydroxy-9H-acridin-10-yl)-4-oxo-2-propan-2-ylbutanoyl]amino]-4-oxopentanoic acid?
The canonical SMILES for 5-fluoro-3-[[(2S)-4-(9-hydroxy-9H-acridin-10-yl)-4-oxo-2-propan-2-ylbutanoyl]amino]-4-oxopentanoic acid is CC(C)[C@H](CC(=O)N1c2ccccc2C(O)c2ccccc21)C(=O)NC(CC(=O)O)C(=O)CF.
What is the InChIKey of 5-fluoro-3-[[(2S)-4-(9-hydroxy-9H-acridin-10-yl)-4-oxo-2-propan-2-ylbutanoyl]amino]-4-oxopentanoic acid?
The InChIKey is OCCQQPKSPBUDHS-ZENAZSQFSA-N. The full InChI is InChI=1S/C25H27FN2O6/c1-14(2)17(25(34)27-18(12-23(31)32)21(29)13-26)11-22(30)28-19-9-5-3-7-15(19)24(33)16-8-4-6-10-20(16)28/h3-10,14,17-18,24,33H,11-13H2,1-2H3,(H,27,34)(H,31,32)/t17-,18?/m0/s1.
What are the key properties of 5-fluoro-3-[[(2S)-4-(9-hydroxy-9H-acridin-10-yl)-4-oxo-2-propan-2-ylbutanoyl]amino]-4-oxopentanoic acid?
5-fluoro-3-[[(2S)-4-(9-hydroxy-9H-acridin-10-yl)-4-oxo-2-propan-2-ylbutanoyl]amino]-4-oxopentanoic acid has a molecular weight of 470.50 g/mol, XLogP of 2.91, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-[[(2S)-4-(9-hydroxy-9H-acridin-10-yl)-4-oxo-2-propan-2-ylbutanoyl]amino]-4-oxopentanoic acid is sourced from PubChem (CID 10298882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).