5-amino-5-oxo-2-[2-oxo-6-[(4-propan-2-ylphenyl)methyl]benzo[cd]indol-1-yl]pentanoic acid;morpholine

C30H35N3O5 — CID 162727086

IUPAC5-amino-5-oxo-2-[2-oxo-6-[(4-propan-2-ylphenyl)methyl]benzo[cd]indol-1-yl]pentanoic acid;morpholine
SMILESC1COCCN1.CC(C)c1ccc(Cc2ccc3c4c(cccc24)C(=O)N3C(CCC(N)=O)C(=O)O)cc1
InChIInChI=1S/C26H26N2O4.C4H9NO/c1-15(2)17-8-6-16(7-9-17)14-18-10-11-21-24-19(18)4-3-5-20(24)25(30)28(21)22(26(31)32)12-13-23(27)29;1-3-6-4-2-5-1/h3-11,15,22H,12-14H2,1-2H3,(H2,27,29)(H,31,32);5H,1-4H2
InChIKeyRANHOVMZPUMBRA-UHFFFAOYSA-N
MW517.63 g/mol
LogP3.84
Rot. Bonds8

About 5-amino-5-oxo-2-[2-oxo-6-[(4-propan-2-ylphenyl)methyl]benzo[cd]indol-1-yl]pentanoic acid;morpholine

5-amino-5-oxo-2-[2-oxo-6-[(4-propan-2-ylphenyl)methyl]benzo[cd]indol-1-yl]pentanoic acid;morpholine (PubChem CID 162727086) has the molecular formula C30H35N3O5 and a molecular weight of 517.63 g/mol. Its IUPAC name is 5-amino-5-oxo-2-[2-oxo-6-[(4-propan-2-ylphenyl)methyl]benzo[cd]indol-1-yl]pentanoic acid;morpholine.

Molecular Properties

Compound Name5-amino-5-oxo-2-[2-oxo-6-[(4-propan-2-ylphenyl)methyl]benzo[cd]indol-1-yl]pentanoic acid;morpholine
PubChem CID162727086
Molecular FormulaC30H35N3O5
Molecular Weight517.63 g/mol
Exact Mass517.26
IUPAC Name5-amino-5-oxo-2-[2-oxo-6-[(4-propan-2-ylphenyl)methyl]benzo[cd]indol-1-yl]pentanoic acid;morpholine
SMILESC1COCCN1.CC(C)c1ccc(Cc2ccc3c4c(cccc24)C(=O)N3C(CCC(N)=O)C(=O)O)cc1
InChIInChI=1S/C26H26N2O4.C4H9NO/c1-15(2)17-8-6-16(7-9-17)14-18-10-11-21-24-19(18)4-3-5-20(24)25(30)28(21)22(26(31)32)12-13-23(27)29;1-3-6-4-2-5-1/h3-11,15,22H,12-14H2,1-2H3,(H2,27,29)(H,31,32);5H,1-4H2
InChIKeyRANHOVMZPUMBRA-UHFFFAOYSA-N
XLogP3.84
TPSA121.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.63
LogP ≤ 53.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-amino-5-oxo-2-[2-oxo-6-[(4-propan-2-ylphenyl)methyl]benzo[cd]indol-1-yl]pentanoic acid;morpholine with MolForge

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Related Compounds

N-formyl-4-[6-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-oxobenzo[cd]indol-1-yl]pentanamide
CID 170097464
5-amino-2-(1,3-dioxobenzo[e]isoindol-2-yl)-5-oxopentanoic acid
CID 21250930
5-amino-2-(7-methyl-3-oxo-1H-isoindol-2-yl)-5-oxopentanoic acid
CID 22612832
ethane;N-formyl-2-(2-oxo-6-piperidin-4-ylbenzo[cd]indol-1-yl)pentanamide
CID 167471306
5-amino-5-oxo-2-(3-oxo-7-propyl-1H-isoindol-2-yl)pentanoic acid
CID 22612834
2-[(5Z)-5-(1-acetyl-2-oxoindol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-5-amino-5-oxopentanoic acid
CID 18841666
2-[4-(ethylaminomethyl)phenyl]propanoic acid;morpholine
CID 174641884
2-[(3aS,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-5-amino-5-oxopentanoic acid
CID 104962783
5-amino-2-(2,4-dioxo-8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-5-oxopentanoic acid
CID 102689263
1-(2-acetylcyclopropyl)-6-[(1-piperidin-4-ylpyrazol-4-yl)methyl]benzo[cd]indol-2-one
CID 167187584
(2S)-2-(1,3-dioxoisoindol-2-yl)-5-ethoxy-5-oxopentanoic acid
CID 18640718
(4-propan-2-ylphenyl)methyl (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 8926839

Frequently Asked Questions

What is the IUPAC name of 5-amino-5-oxo-2-[2-oxo-6-[(4-propan-2-ylphenyl)methyl]benzo[cd]indol-1-yl]pentanoic acid;morpholine?
The IUPAC name of 5-amino-5-oxo-2-[2-oxo-6-[(4-propan-2-ylphenyl)methyl]benzo[cd]indol-1-yl]pentanoic acid;morpholine (CID 162727086) is 5-amino-5-oxo-2-[2-oxo-6-[(4-propan-2-ylphenyl)methyl]benzo[cd]indol-1-yl]pentanoic acid;morpholine.
What is the SMILES notation for 5-amino-5-oxo-2-[2-oxo-6-[(4-propan-2-ylphenyl)methyl]benzo[cd]indol-1-yl]pentanoic acid;morpholine?
The canonical SMILES for 5-amino-5-oxo-2-[2-oxo-6-[(4-propan-2-ylphenyl)methyl]benzo[cd]indol-1-yl]pentanoic acid;morpholine is C1COCCN1.CC(C)c1ccc(Cc2ccc3c4c(cccc24)C(=O)N3C(CCC(N)=O)C(=O)O)cc1.
What is the InChIKey of 5-amino-5-oxo-2-[2-oxo-6-[(4-propan-2-ylphenyl)methyl]benzo[cd]indol-1-yl]pentanoic acid;morpholine?
The InChIKey is RANHOVMZPUMBRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O4.C4H9NO/c1-15(2)17-8-6-16(7-9-17)14-18-10-11-21-24-19(18)4-3-5-20(24)25(30)28(21)22(26(31)32)12-13-23(27)29;1-3-6-4-2-5-1/h3-11,15,22H,12-14H2,1-2H3,(H2,27,29)(H,31,32);5H,1-4H2.
What are the key properties of 5-amino-5-oxo-2-[2-oxo-6-[(4-propan-2-ylphenyl)methyl]benzo[cd]indol-1-yl]pentanoic acid;morpholine?
5-amino-5-oxo-2-[2-oxo-6-[(4-propan-2-ylphenyl)methyl]benzo[cd]indol-1-yl]pentanoic acid;morpholine has a molecular weight of 517.63 g/mol, XLogP of 3.84, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-5-oxo-2-[2-oxo-6-[(4-propan-2-ylphenyl)methyl]benzo[cd]indol-1-yl]pentanoic acid;morpholine is sourced from PubChem (CID 162727086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).