(2,5-dioxopyrrolidin-1-yl) 4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-3-methylbenzoate

C28H24N2O6 — CID 148558387

IUPAC(2,5-dioxopyrrolidin-1-yl) 4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-3-methylbenzoate
SMILESCc1cc(C(=O)ON2C(=O)CCC2=O)ccc1CNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C28H24N2O6/c1-17-14-18(27(33)36-30-25(31)12-13-26(30)32)10-11-19(17)15-29-28(34)35-16-24-22-8-4-2-6-20(22)21-7-3-5-9-23(21)24/h2-11,14,24H,12-13,15-16H2,1H3,(H,29,34)
InChIKeyMUMYINSEEAAZGS-UHFFFAOYSA-N
MW484.51 g/mol
LogP4.25
Rot. Bonds6

About (2,5-dioxopyrrolidin-1-yl) 4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-3-methylbenzoate

(2,5-dioxopyrrolidin-1-yl) 4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-3-methylbenzoate (PubChem CID 148558387) has the molecular formula C28H24N2O6 and a molecular weight of 484.51 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-3-methylbenzoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-3-methylbenzoate
PubChem CID148558387
Molecular FormulaC28H24N2O6
Molecular Weight484.51 g/mol
Exact Mass484.16
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-3-methylbenzoate
SMILESCc1cc(C(=O)ON2C(=O)CCC2=O)ccc1CNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C28H24N2O6/c1-17-14-18(27(33)36-30-25(31)12-13-26(30)32)10-11-19(17)15-29-28(34)35-16-24-22-8-4-2-6-20(22)21-7-3-5-9-23(21)24/h2-11,14,24H,12-13,15-16H2,1H3,(H,29,34)
InChIKeyMUMYINSEEAAZGS-UHFFFAOYSA-N
XLogP4.25
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.51
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2,5-dioxopyrrolidin-1-yl) 3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate
CID 90136786
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]ethoxy]propanoate
CID 86276390
(2,5-dioxopyrrolidin-1-yl) 2-[2-[2-[2-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
CID 89202897
methyl 4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]benzoate
CID 24720878
5-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2-methylbenzoic acid
CID 172639206
9H-fluoren-9-ylmethyl N-[(2,4-dimethoxyphenyl)methyl]carbamate
CID 57188934
5-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]naphthalene-2-carboxylic acid
CID 138005991
(2,5-dioxopyrrolidin-1-yl) 9H-fluoren-9-ylmethoxy carbonate
CID 18968177
4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-3-nitrobenzoic acid
CID 22134371
methyl 4-[4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]benzoyl]benzoate
CID 102121065
(2,5-dioxopyrrolidin-1-yl) (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-naphthalen-1-ylpropanoate
CID 150626841
(2,5-dioxopyrrolidin-1-yl) 2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoyl]amino]acetate
CID 164795128

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-3-methylbenzoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-3-methylbenzoate (CID 148558387) is (2,5-dioxopyrrolidin-1-yl) 4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-3-methylbenzoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-3-methylbenzoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-3-methylbenzoate is Cc1cc(C(=O)ON2C(=O)CCC2=O)ccc1CNC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-3-methylbenzoate?
The InChIKey is MUMYINSEEAAZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N2O6/c1-17-14-18(27(33)36-30-25(31)12-13-26(30)32)10-11-19(17)15-29-28(34)35-16-24-22-8-4-2-6-20(22)21-7-3-5-9-23(21)24/h2-11,14,24H,12-13,15-16H2,1H3,(H,29,34).
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-3-methylbenzoate?
(2,5-dioxopyrrolidin-1-yl) 4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-3-methylbenzoate has a molecular weight of 484.51 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-3-methylbenzoate is sourced from PubChem (CID 148558387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).