3-[[(2S)-4-carbazol-9-yl-4-oxo-2-propan-2-ylbutanoyl]amino]-5-fluoro-4-oxopentanoic acid;praseodymium

C24H25FN2O5Pr — CID 59067088

IUPAC3-[[(2S)-4-carbazol-9-yl-4-oxo-2-propan-2-ylbutanoyl]amino]-5-fluoro-4-oxopentanoic acid;praseodymium
SMILESCC(C)[C@H](CC(=O)n1c2ccccc2c2ccccc21)C(=O)NC(CC(=O)O)C(=O)CF.[Pr]
InChIInChI=1S/C24H25FN2O5.Pr/c1-14(2)17(24(32)26-18(12-23(30)31)21(28)13-25)11-22(29)27-19-9-5-3-7-15(19)16-8-4-6-10-20(16)27;/h3-10,14,17-18H,11-13H2,1-2H3,(H,26,32)(H,30,31);/t17-,18?;/m0./s1
InChIKeyZLBXUBJYQKPMMJ-OQICONIUSA-N
MW581.38 g/mol
LogP3.60
Rot. Bonds9

About 3-[[(2S)-4-carbazol-9-yl-4-oxo-2-propan-2-ylbutanoyl]amino]-5-fluoro-4-oxopentanoic acid;praseodymium

3-[[(2S)-4-carbazol-9-yl-4-oxo-2-propan-2-ylbutanoyl]amino]-5-fluoro-4-oxopentanoic acid;praseodymium (PubChem CID 59067088) has the molecular formula C24H25FN2O5Pr and a molecular weight of 581.38 g/mol. Its IUPAC name is 3-[[(2S)-4-carbazol-9-yl-4-oxo-2-propan-2-ylbutanoyl]amino]-5-fluoro-4-oxopentanoic acid;praseodymium.

Molecular Properties

Compound Name3-[[(2S)-4-carbazol-9-yl-4-oxo-2-propan-2-ylbutanoyl]amino]-5-fluoro-4-oxopentanoic acid;praseodymium
PubChem CID59067088
Molecular FormulaC24H25FN2O5Pr
Molecular Weight581.38 g/mol
Exact Mass581.08
IUPAC Name3-[[(2S)-4-carbazol-9-yl-4-oxo-2-propan-2-ylbutanoyl]amino]-5-fluoro-4-oxopentanoic acid;praseodymium
SMILESCC(C)[C@H](CC(=O)n1c2ccccc2c2ccccc21)C(=O)NC(CC(=O)O)C(=O)CF.[Pr]
InChIInChI=1S/C24H25FN2O5.Pr/c1-14(2)17(24(32)26-18(12-23(30)31)21(28)13-25)11-22(29)27-19-9-5-3-7-15(19)16-8-4-6-10-20(16)27;/h3-10,14,17-18H,11-13H2,1-2H3,(H,26,32)(H,30,31);/t17-,18?;/m0./s1
InChIKeyZLBXUBJYQKPMMJ-OQICONIUSA-N
XLogP3.60
TPSA105.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500581.38
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[(2S)-4-(2,3-dichlorocarbazol-9-yl)-4-oxo-2-propan-2-ylbutanoyl]amino]-5-fluoro-4-oxopentanoic acid
CID 10301071
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)-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
[1-[[1-(diethylamino)-5-fluoro-1,4-dioxopentan-3-yl]amino]-3-methyl-1-oxobutan-2-yl] carbazole-9-carboxylate
CID 20620022
N-(1-fluoro-2,5-dioxopentan-3-yl)-4-oxo-4-(10H-phenazin-5-yl)-2-propan-2-ylbutanamide
CID 88935471

Frequently Asked Questions

What is the IUPAC name of 3-[[(2S)-4-carbazol-9-yl-4-oxo-2-propan-2-ylbutanoyl]amino]-5-fluoro-4-oxopentanoic acid;praseodymium?
The IUPAC name of 3-[[(2S)-4-carbazol-9-yl-4-oxo-2-propan-2-ylbutanoyl]amino]-5-fluoro-4-oxopentanoic acid;praseodymium (CID 59067088) is 3-[[(2S)-4-carbazol-9-yl-4-oxo-2-propan-2-ylbutanoyl]amino]-5-fluoro-4-oxopentanoic acid;praseodymium.
What is the SMILES notation for 3-[[(2S)-4-carbazol-9-yl-4-oxo-2-propan-2-ylbutanoyl]amino]-5-fluoro-4-oxopentanoic acid;praseodymium?
The canonical SMILES for 3-[[(2S)-4-carbazol-9-yl-4-oxo-2-propan-2-ylbutanoyl]amino]-5-fluoro-4-oxopentanoic acid;praseodymium is CC(C)[C@H](CC(=O)n1c2ccccc2c2ccccc21)C(=O)NC(CC(=O)O)C(=O)CF.[Pr].
What is the InChIKey of 3-[[(2S)-4-carbazol-9-yl-4-oxo-2-propan-2-ylbutanoyl]amino]-5-fluoro-4-oxopentanoic acid;praseodymium?
The InChIKey is ZLBXUBJYQKPMMJ-OQICONIUSA-N. The full InChI is InChI=1S/C24H25FN2O5.Pr/c1-14(2)17(24(32)26-18(12-23(30)31)21(28)13-25)11-22(29)27-19-9-5-3-7-15(19)16-8-4-6-10-20(16)27;/h3-10,14,17-18H,11-13H2,1-2H3,(H,26,32)(H,30,31);/t17-,18?;/m0./s1.
What are the key properties of 3-[[(2S)-4-carbazol-9-yl-4-oxo-2-propan-2-ylbutanoyl]amino]-5-fluoro-4-oxopentanoic acid;praseodymium?
3-[[(2S)-4-carbazol-9-yl-4-oxo-2-propan-2-ylbutanoyl]amino]-5-fluoro-4-oxopentanoic acid;praseodymium has a molecular weight of 581.38 g/mol, XLogP of 3.60, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S)-4-carbazol-9-yl-4-oxo-2-propan-2-ylbutanoyl]amino]-5-fluoro-4-oxopentanoic acid;praseodymium is sourced from PubChem (CID 59067088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).