5-amino-4-[1-methyl-7-[[4-(2-morpholin-4-ylethoxy)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]-5-oxopentanoic acid

C27H33N3O7 — CID 150284568

IUPAC5-amino-4-[1-methyl-7-[[4-(2-morpholin-4-ylethoxy)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]-5-oxopentanoic acid
SMILESCC1c2c(OCc3ccc(OCCN4CCOCC4)cc3)cccc2C(=O)N1C(CCC(=O)O)C(N)=O
InChIInChI=1S/C27H33N3O7/c1-18-25-21(27(34)30(18)22(26(28)33)9-10-24(31)32)3-2-4-23(25)37-17-19-5-7-20(8-6-19)36-16-13-29-11-14-35-15-12-29/h2-8,18,22H,9-17H2,1H3,(H2,28,33)(H,31,32)
InChIKeyGGHNAQSLVBSIJS-UHFFFAOYSA-N
MW511.58 g/mol
LogP2.21
Rot. Bonds12

About 5-amino-4-[1-methyl-7-[[4-(2-morpholin-4-ylethoxy)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]-5-oxopentanoic acid

5-amino-4-[1-methyl-7-[[4-(2-morpholin-4-ylethoxy)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]-5-oxopentanoic acid (PubChem CID 150284568) has the molecular formula C27H33N3O7 and a molecular weight of 511.58 g/mol. Its IUPAC name is 5-amino-4-[1-methyl-7-[[4-(2-morpholin-4-ylethoxy)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-amino-4-[1-methyl-7-[[4-(2-morpholin-4-ylethoxy)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]-5-oxopentanoic acid
PubChem CID150284568
Molecular FormulaC27H33N3O7
Molecular Weight511.58 g/mol
Exact Mass511.23
IUPAC Name5-amino-4-[1-methyl-7-[[4-(2-morpholin-4-ylethoxy)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]-5-oxopentanoic acid
SMILESCC1c2c(OCc3ccc(OCCN4CCOCC4)cc3)cccc2C(=O)N1C(CCC(=O)O)C(N)=O
InChIInChI=1S/C27H33N3O7/c1-18-25-21(27(34)30(18)22(26(28)33)9-10-24(31)32)3-2-4-23(25)37-17-19-5-7-20(8-6-19)36-16-13-29-11-14-35-15-12-29/h2-8,18,22H,9-17H2,1H3,(H2,28,33)(H,31,32)
InChIKeyGGHNAQSLVBSIJS-UHFFFAOYSA-N
XLogP2.21
TPSA131.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.58
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-amino-4-[7-[(4-methylphenyl)-(2-morpholin-4-ylethoxy)methoxy]-3-oxo-1H-isoindol-2-yl]-5-oxopentanoic acid
CID 151266430
methyl 5-amino-4-[1-iodo-3-oxo-7-[[4-(piperidin-4-ylmethyl)phenyl]methoxy]-1H-isoindol-2-yl]-5-oxopentanoate
CID 134229053
tert-butyl (4S)-5-amino-4-[5-(2-methoxyethoxy)-7-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]-5-oxopentanoate
CID 167499418
2-[4-(3-morpholin-4-ylpropoxy)phenyl]acetic acid
CID 22241707
4-(2-morpholin-4-ylethoxy)benzamide
CID 35813066
4-[[3-(2-morpholin-4-ylethoxy)phenyl]methoxy]benzoic acid
CID 68727410
4-methoxy-N-[4-(2-morpholin-4-ylethoxy)phenyl]-3-phenylmethoxybenzamide
CID 141436173
4-[2-(4-methylphenoxy)ethyl]morpholine;oxalic acid
CID 44827969
benzyl N-[4-(2-morpholin-4-ylethoxy)phenyl]carbamate;hydrochloride
CID 24836503
3,5-bis(2-morpholin-4-ylethoxy)fluoren-9-one
CID 57066277
2-[4-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]phenyl]acetic acid
CID 175940913
ethyl 3-[3-methyl-4-[[3-(2-morpholin-4-ylethoxy)phenyl]methoxy]phenyl]propanoate
CID 23136279

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[1-methyl-7-[[4-(2-morpholin-4-ylethoxy)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]-5-oxopentanoic acid?
The IUPAC name of 5-amino-4-[1-methyl-7-[[4-(2-morpholin-4-ylethoxy)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]-5-oxopentanoic acid (CID 150284568) is 5-amino-4-[1-methyl-7-[[4-(2-morpholin-4-ylethoxy)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]-5-oxopentanoic acid.
What is the SMILES notation for 5-amino-4-[1-methyl-7-[[4-(2-morpholin-4-ylethoxy)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]-5-oxopentanoic acid?
The canonical SMILES for 5-amino-4-[1-methyl-7-[[4-(2-morpholin-4-ylethoxy)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]-5-oxopentanoic acid is CC1c2c(OCc3ccc(OCCN4CCOCC4)cc3)cccc2C(=O)N1C(CCC(=O)O)C(N)=O.
What is the InChIKey of 5-amino-4-[1-methyl-7-[[4-(2-morpholin-4-ylethoxy)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]-5-oxopentanoic acid?
The InChIKey is GGHNAQSLVBSIJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O7/c1-18-25-21(27(34)30(18)22(26(28)33)9-10-24(31)32)3-2-4-23(25)37-17-19-5-7-20(8-6-19)36-16-13-29-11-14-35-15-12-29/h2-8,18,22H,9-17H2,1H3,(H2,28,33)(H,31,32).
What are the key properties of 5-amino-4-[1-methyl-7-[[4-(2-morpholin-4-ylethoxy)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]-5-oxopentanoic acid?
5-amino-4-[1-methyl-7-[[4-(2-morpholin-4-ylethoxy)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]-5-oxopentanoic acid has a molecular weight of 511.58 g/mol, XLogP of 2.21, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[1-methyl-7-[[4-(2-morpholin-4-ylethoxy)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]-5-oxopentanoic acid is sourced from PubChem (CID 150284568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).