2-[4-(2-methoxyethylamino)-3-[[(2S)-pyrrolidine-2-carbonyl]carbamoyl]phenyl]-1,3-dioxoisoindole-5-carboxylic acid

C24H24N4O7 — CID 118561207

IUPAC2-[4-(2-methoxyethylamino)-3-[[(2S)-pyrrolidine-2-carbonyl]carbamoyl]phenyl]-1,3-dioxoisoindole-5-carboxylic acid
SMILESCOCCNc1ccc(N2C(=O)c3ccc(C(=O)O)cc3C2=O)cc1C(=O)NC(=O)[C@@H]1CCCN1
InChIInChI=1S/C24H24N4O7/c1-35-10-9-26-18-7-5-14(12-17(18)20(29)27-21(30)19-3-2-8-25-19)28-22(31)15-6-4-13(24(33)34)11-16(15)23(28)32/h4-7,11-12,19,25-26H,2-3,8-10H2,1H3,(H,33,34)(H,27,29,30)/t19-/m0/s1
InChIKeyYAIOTYDNZWGOME-IBGZPJMESA-N
MW480.48 g/mol
LogP1.25
Rot. Bonds8

About 2-[4-(2-methoxyethylamino)-3-[[(2S)-pyrrolidine-2-carbonyl]carbamoyl]phenyl]-1,3-dioxoisoindole-5-carboxylic acid

2-[4-(2-methoxyethylamino)-3-[[(2S)-pyrrolidine-2-carbonyl]carbamoyl]phenyl]-1,3-dioxoisoindole-5-carboxylic acid (PubChem CID 118561207) has the molecular formula C24H24N4O7 and a molecular weight of 480.48 g/mol. Its IUPAC name is 2-[4-(2-methoxyethylamino)-3-[[(2S)-pyrrolidine-2-carbonyl]carbamoyl]phenyl]-1,3-dioxoisoindole-5-carboxylic acid.

Molecular Properties

Compound Name2-[4-(2-methoxyethylamino)-3-[[(2S)-pyrrolidine-2-carbonyl]carbamoyl]phenyl]-1,3-dioxoisoindole-5-carboxylic acid
PubChem CID118561207
Molecular FormulaC24H24N4O7
Molecular Weight480.48 g/mol
Exact Mass480.16
IUPAC Name2-[4-(2-methoxyethylamino)-3-[[(2S)-pyrrolidine-2-carbonyl]carbamoyl]phenyl]-1,3-dioxoisoindole-5-carboxylic acid
SMILESCOCCNc1ccc(N2C(=O)c3ccc(C(=O)O)cc3C2=O)cc1C(=O)NC(=O)[C@@H]1CCCN1
InChIInChI=1S/C24H24N4O7/c1-35-10-9-26-18-7-5-14(12-17(18)20(29)27-21(30)19-3-2-8-25-19)28-22(31)15-6-4-13(24(33)34)11-16(15)23(28)32/h4-7,11-12,19,25-26H,2-3,8-10H2,1H3,(H,33,34)(H,27,29,30)/t19-/m0/s1
InChIKeyYAIOTYDNZWGOME-IBGZPJMESA-N
XLogP1.25
TPSA154.14 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.48
LogP ≤ 51.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyethylamino)-3-[[(2S)-pyrrolidine-2-carbonyl]carbamoyl]phenyl]-1,3-dioxoisoindole-5-carboxylic acid?
The IUPAC name of 2-[4-(2-methoxyethylamino)-3-[[(2S)-pyrrolidine-2-carbonyl]carbamoyl]phenyl]-1,3-dioxoisoindole-5-carboxylic acid (CID 118561207) is 2-[4-(2-methoxyethylamino)-3-[[(2S)-pyrrolidine-2-carbonyl]carbamoyl]phenyl]-1,3-dioxoisoindole-5-carboxylic acid.
What is the SMILES notation for 2-[4-(2-methoxyethylamino)-3-[[(2S)-pyrrolidine-2-carbonyl]carbamoyl]phenyl]-1,3-dioxoisoindole-5-carboxylic acid?
The canonical SMILES for 2-[4-(2-methoxyethylamino)-3-[[(2S)-pyrrolidine-2-carbonyl]carbamoyl]phenyl]-1,3-dioxoisoindole-5-carboxylic acid is COCCNc1ccc(N2C(=O)c3ccc(C(=O)O)cc3C2=O)cc1C(=O)NC(=O)[C@@H]1CCCN1.
What is the InChIKey of 2-[4-(2-methoxyethylamino)-3-[[(2S)-pyrrolidine-2-carbonyl]carbamoyl]phenyl]-1,3-dioxoisoindole-5-carboxylic acid?
The InChIKey is YAIOTYDNZWGOME-IBGZPJMESA-N. The full InChI is InChI=1S/C24H24N4O7/c1-35-10-9-26-18-7-5-14(12-17(18)20(29)27-21(30)19-3-2-8-25-19)28-22(31)15-6-4-13(24(33)34)11-16(15)23(28)32/h4-7,11-12,19,25-26H,2-3,8-10H2,1H3,(H,33,34)(H,27,29,30)/t19-/m0/s1.
What are the key properties of 2-[4-(2-methoxyethylamino)-3-[[(2S)-pyrrolidine-2-carbonyl]carbamoyl]phenyl]-1,3-dioxoisoindole-5-carboxylic acid?
2-[4-(2-methoxyethylamino)-3-[[(2S)-pyrrolidine-2-carbonyl]carbamoyl]phenyl]-1,3-dioxoisoindole-5-carboxylic acid has a molecular weight of 480.48 g/mol, XLogP of 1.25, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyethylamino)-3-[[(2S)-pyrrolidine-2-carbonyl]carbamoyl]phenyl]-1,3-dioxoisoindole-5-carboxylic acid is sourced from PubChem (CID 118561207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).