5-fluoro-4-oxo-3-[[(2R)-4-oxo-2-propan-2-yl-4-pyrido[4,3-b]indol-5-ylbutanoyl]amino]pentanoic acid

C23H24FN3O5 — CID 21241234

IUPAC5-fluoro-4-oxo-3-[[(2R)-4-oxo-2-propan-2-yl-4-pyrido[4,3-b]indol-5-ylbutanoyl]amino]pentanoic acid
SMILESCC(C)[C@@H](CC(=O)n1c2ccccc2c2cnccc21)C(=O)NC(CC(=O)O)C(=O)CF
InChIInChI=1S/C23H24FN3O5/c1-13(2)15(23(32)26-17(10-22(30)31)20(28)11-24)9-21(29)27-18-6-4-3-5-14(18)16-12-25-8-7-19(16)27/h3-8,12-13,15,17H,9-11H2,1-2H3,(H,26,32)(H,30,31)/t15-,17?/m1/s1
InChIKeyXDHRSOYIKUFXEJ-LDCVWXEPSA-N
MW441.46 g/mol
LogP2.99
Rot. Bonds9

About 5-fluoro-4-oxo-3-[[(2R)-4-oxo-2-propan-2-yl-4-pyrido[4,3-b]indol-5-ylbutanoyl]amino]pentanoic acid

5-fluoro-4-oxo-3-[[(2R)-4-oxo-2-propan-2-yl-4-pyrido[4,3-b]indol-5-ylbutanoyl]amino]pentanoic acid (PubChem CID 21241234) has the molecular formula C23H24FN3O5 and a molecular weight of 441.46 g/mol. Its IUPAC name is 5-fluoro-4-oxo-3-[[(2R)-4-oxo-2-propan-2-yl-4-pyrido[4,3-b]indol-5-ylbutanoyl]amino]pentanoic acid.

Molecular Properties

Compound Name5-fluoro-4-oxo-3-[[(2R)-4-oxo-2-propan-2-yl-4-pyrido[4,3-b]indol-5-ylbutanoyl]amino]pentanoic acid
PubChem CID21241234
Molecular FormulaC23H24FN3O5
Molecular Weight441.46 g/mol
Exact Mass441.17
IUPAC Name5-fluoro-4-oxo-3-[[(2R)-4-oxo-2-propan-2-yl-4-pyrido[4,3-b]indol-5-ylbutanoyl]amino]pentanoic acid
SMILESCC(C)[C@@H](CC(=O)n1c2ccccc2c2cnccc21)C(=O)NC(CC(=O)O)C(=O)CF
InChIInChI=1S/C23H24FN3O5/c1-13(2)15(23(32)26-17(10-22(30)31)20(28)11-24)9-21(29)27-18-6-4-3-5-14(18)16-12-25-8-7-19(16)27/h3-8,12-13,15,17H,9-11H2,1-2H3,(H,26,32)(H,30,31)/t15-,17?/m1/s1
InChIKeyXDHRSOYIKUFXEJ-LDCVWXEPSA-N
XLogP2.99
TPSA118.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.46
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-fluoro-4-oxo-3-[[(2R)-4-oxo-2-propan-2-yl-4-pyrido[4,3-b]indol-5-ylbutanoyl]amino]pentanoic acid with MolForge

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Launch Full Analysis

Related Compounds

3-[[(2S)-4-carbazol-9-yl-4-oxo-2-propan-2-ylbutanoyl]amino]-5-fluoro-4-oxopentanoic acid;praseodymium
CID 59067088
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
propan-2-yl 3-[[(2R)-4-carbazol-9-yl-4-oxo-2-propan-2-ylbutanoyl]amino]-5-fluoro-4-oxopentanoate
CID 22871010
3-[[(2R)-4-(3,6-dichlorocarbazol-9-yl)-4-oxo-2-propan-2-ylbutanoyl]amino]-5-fluoro-4-oxopentanoic acid
CID 135556521
(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
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
3-[[2-(2-chlorocarbazole-9-carbonyl)oxy-3-methylbutanoyl]amino]-5-fluoro-4-oxopentanoic acid
CID 20620041
N-(1-fluoro-2-oxopentan-3-yl)-4-isoquinolin-1-yl-4-oxo-2-propan-2-ylbutanamide
CID 173213994
[1-[[1-(diethylamino)-5-fluoro-1,4-dioxopentan-3-yl]amino]-3-methyl-1-oxobutan-2-yl] carbazole-9-carboxylate
CID 20620022

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-oxo-3-[[(2R)-4-oxo-2-propan-2-yl-4-pyrido[4,3-b]indol-5-ylbutanoyl]amino]pentanoic acid?
The IUPAC name of 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) is 5-fluoro-4-oxo-3-[[(2R)-4-oxo-2-propan-2-yl-4-pyrido[4,3-b]indol-5-ylbutanoyl]amino]pentanoic acid.
What is the SMILES notation for 5-fluoro-4-oxo-3-[[(2R)-4-oxo-2-propan-2-yl-4-pyrido[4,3-b]indol-5-ylbutanoyl]amino]pentanoic acid?
The canonical SMILES for 5-fluoro-4-oxo-3-[[(2R)-4-oxo-2-propan-2-yl-4-pyrido[4,3-b]indol-5-ylbutanoyl]amino]pentanoic acid is CC(C)[C@@H](CC(=O)n1c2ccccc2c2cnccc21)C(=O)NC(CC(=O)O)C(=O)CF.
What is the InChIKey of 5-fluoro-4-oxo-3-[[(2R)-4-oxo-2-propan-2-yl-4-pyrido[4,3-b]indol-5-ylbutanoyl]amino]pentanoic acid?
The InChIKey is XDHRSOYIKUFXEJ-LDCVWXEPSA-N. The full InChI is InChI=1S/C23H24FN3O5/c1-13(2)15(23(32)26-17(10-22(30)31)20(28)11-24)9-21(29)27-18-6-4-3-5-14(18)16-12-25-8-7-19(16)27/h3-8,12-13,15,17H,9-11H2,1-2H3,(H,26,32)(H,30,31)/t15-,17?/m1/s1.
What are the key properties of 5-fluoro-4-oxo-3-[[(2R)-4-oxo-2-propan-2-yl-4-pyrido[4,3-b]indol-5-ylbutanoyl]amino]pentanoic acid?
5-fluoro-4-oxo-3-[[(2R)-4-oxo-2-propan-2-yl-4-pyrido[4,3-b]indol-5-ylbutanoyl]amino]pentanoic acid has a molecular weight of 441.46 g/mol, XLogP of 2.99, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-oxo-3-[[(2R)-4-oxo-2-propan-2-yl-4-pyrido[4,3-b]indol-5-ylbutanoyl]amino]pentanoic acid is sourced from PubChem (CID 21241234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).