ethane;5-fluoro-3-[(2-formyloxyacetyl)amino]-4-oxopentanoic acid;9-methylcarbazole

C23H27FN2O6 — CID 142088482

IUPACethane;5-fluoro-3-[(2-formyloxyacetyl)amino]-4-oxopentanoic acid;9-methylcarbazole
SMILESCC.Cn1c2ccccc2c2ccccc21.O=COCC(=O)NC(CC(=O)O)C(=O)CF
InChIInChI=1S/C13H11N.C8H10FNO6.C2H6/c1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14;9-2-6(12)5(1-8(14)15)10-7(13)3-16-4-11;1-2/h2-9H,1H3;4-5H,1-3H2,(H,10,13)(H,14,15);1-2H3
InChIKeyRQPOIDFEBKUSFP-UHFFFAOYSA-N
MW446.48 g/mol
LogP3.02
Rot. Bonds8

About ethane;5-fluoro-3-[(2-formyloxyacetyl)amino]-4-oxopentanoic acid;9-methylcarbazole

ethane;5-fluoro-3-[(2-formyloxyacetyl)amino]-4-oxopentanoic acid;9-methylcarbazole (PubChem CID 142088482) has the molecular formula C23H27FN2O6 and a molecular weight of 446.48 g/mol. Its IUPAC name is ethane;5-fluoro-3-[(2-formyloxyacetyl)amino]-4-oxopentanoic acid;9-methylcarbazole.

Molecular Properties

Compound Nameethane;5-fluoro-3-[(2-formyloxyacetyl)amino]-4-oxopentanoic acid;9-methylcarbazole
PubChem CID142088482
Molecular FormulaC23H27FN2O6
Molecular Weight446.48 g/mol
Exact Mass446.19
IUPAC Nameethane;5-fluoro-3-[(2-formyloxyacetyl)amino]-4-oxopentanoic acid;9-methylcarbazole
SMILESCC.Cn1c2ccccc2c2ccccc21.O=COCC(=O)NC(CC(=O)O)C(=O)CF
InChIInChI=1S/C13H11N.C8H10FNO6.C2H6/c1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14;9-2-6(12)5(1-8(14)15)10-7(13)3-16-4-11;1-2/h2-9H,1H3;4-5H,1-3H2,(H,10,13)(H,14,15);1-2H3
InChIKeyRQPOIDFEBKUSFP-UHFFFAOYSA-N
XLogP3.02
TPSA114.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.48
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

[2-[(5-fluoro-1,4-dioxo-1-propoxypentan-3-yl)amino]-2-oxoethyl] carbazole-9-carboxylate;propane
CID 142088513
3-[[(2S)-4-carbazol-9-yl-4-oxo-2-propan-2-ylbutanoyl]amino]-5-fluoro-4-oxopentanoic acid;praseodymium
CID 59067088
3-[[2-(2-chlorocarbazole-9-carbonyl)oxy-3-methylbutanoyl]amino]-5-fluoro-4-oxopentanoic acid
CID 20620041
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
5-fluoro-3-[2-(10-methylphenazine-5-carbonyl)oxypropanoylamino]-4-oxopentanoic acid
CID 23535529
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
2-acetamido-4-(9-methylcarbazol-3-yl)-4-oxobutanoic acid
CID 54080278
ethane;5-fluoro-3-[[2-[2-(2-methylanilino)prop-2-enoylamino]acetyl]amino]-4-oxopentanoic acid
CID 143150401
ethane;bis(9-methylcarbazole)
CID 159710949
[1-[[1-(diethylamino)-5-fluoro-1,4-dioxopentan-3-yl]amino]-3-methyl-1-oxobutan-2-yl] carbazole-9-carboxylate
CID 20620022
propan-2-yl 3-[[(2R)-4-carbazol-9-yl-4-oxo-2-propan-2-ylbutanoyl]amino]-5-fluoro-4-oxopentanoate
CID 22871010

Frequently Asked Questions

What is the IUPAC name of ethane;5-fluoro-3-[(2-formyloxyacetyl)amino]-4-oxopentanoic acid;9-methylcarbazole?
The IUPAC name of ethane;5-fluoro-3-[(2-formyloxyacetyl)amino]-4-oxopentanoic acid;9-methylcarbazole (CID 142088482) is ethane;5-fluoro-3-[(2-formyloxyacetyl)amino]-4-oxopentanoic acid;9-methylcarbazole.
What is the SMILES notation for ethane;5-fluoro-3-[(2-formyloxyacetyl)amino]-4-oxopentanoic acid;9-methylcarbazole?
The canonical SMILES for ethane;5-fluoro-3-[(2-formyloxyacetyl)amino]-4-oxopentanoic acid;9-methylcarbazole is CC.Cn1c2ccccc2c2ccccc21.O=COCC(=O)NC(CC(=O)O)C(=O)CF.
What is the InChIKey of ethane;5-fluoro-3-[(2-formyloxyacetyl)amino]-4-oxopentanoic acid;9-methylcarbazole?
The InChIKey is RQPOIDFEBKUSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N.C8H10FNO6.C2H6/c1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14;9-2-6(12)5(1-8(14)15)10-7(13)3-16-4-11;1-2/h2-9H,1H3;4-5H,1-3H2,(H,10,13)(H,14,15);1-2H3.
What are the key properties of ethane;5-fluoro-3-[(2-formyloxyacetyl)amino]-4-oxopentanoic acid;9-methylcarbazole?
ethane;5-fluoro-3-[(2-formyloxyacetyl)amino]-4-oxopentanoic acid;9-methylcarbazole has a molecular weight of 446.48 g/mol, XLogP of 3.02, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-fluoro-3-[(2-formyloxyacetyl)amino]-4-oxopentanoic acid;9-methylcarbazole is sourced from PubChem (CID 142088482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).