2-[1-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-5-carbonyl]amino]cyclopentyl]acetic acid

C21H23N3O6 — CID 166426025

IUPAC2-[1-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-5-carbonyl]amino]cyclopentyl]acetic acid
SMILESO=C(O)CC1(NC(=O)c2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3)CCCC1
InChIInChI=1S/C21H23N3O6/c25-16-6-5-15(19(29)22-16)24-11-13-4-3-12(9-14(13)20(24)30)18(28)23-21(10-17(26)27)7-1-2-8-21/h3-4,9,15H,1-2,5-8,10-11H2,(H,23,28)(H,26,27)(H,22,25,29)
InChIKeyRTZVIHYBWDFLRF-UHFFFAOYSA-N
MW413.43 g/mol
LogP0.96
Rot. Bonds5

About 2-[1-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-5-carbonyl]amino]cyclopentyl]acetic acid

2-[1-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-5-carbonyl]amino]cyclopentyl]acetic acid (PubChem CID 166426025) has the molecular formula C21H23N3O6 and a molecular weight of 413.43 g/mol. Its IUPAC name is 2-[1-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-5-carbonyl]amino]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-5-carbonyl]amino]cyclopentyl]acetic acid
PubChem CID166426025
Molecular FormulaC21H23N3O6
Molecular Weight413.43 g/mol
Exact Mass413.16
IUPAC Name2-[1-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-5-carbonyl]amino]cyclopentyl]acetic acid
SMILESO=C(O)CC1(NC(=O)c2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3)CCCC1
InChIInChI=1S/C21H23N3O6/c25-16-6-5-15(19(29)22-16)24-11-13-4-3-12(9-14(13)20(24)30)18(28)23-21(10-17(26)27)7-1-2-8-21/h3-4,9,15H,1-2,5-8,10-11H2,(H,23,28)(H,26,27)(H,22,25,29)
InChIKeyRTZVIHYBWDFLRF-UHFFFAOYSA-N
XLogP0.96
TPSA132.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.43
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[1-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-5-carbonyl]amino]cyclopentyl]acetic acid with MolForge

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Related Compounds

1-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-5-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 166426013
3-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-5-carbonyl]amino]-2,2-dimethylpropanoic acid
CID 166426009
4-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-5-carbonyl]amino]-4-methylpentanoic acid
CID 166426015
N-[[4-(aminomethyl)phenyl]methyl]-2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-5-carboxamide
CID 166426269
3-[3-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-5-carbonyl]amino]phenyl]propanoic acid
CID 166426036
2-(2,6-dioxopiperidin-3-yl)-N-(4-ethylsulfonylbenzoyl)-3-oxo-1H-isoindole-5-carboxamide
CID 67023258
N,N'-bis[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]propanediamide
CID 166027073
N-[(5-tert-butylthiophen-2-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-5-carboxamide
CID 166425717
(2R)-1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-5-carbonyl]piperidine-2-carboxylic acid
CID 166426031
4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carbonyl]amino]butanoic acid
CID 166425977
5-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carbonyl]amino]pentanoic acid
CID 166425957
N-[(3,4-dimethylphenyl)carbamoyl]-2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-5-carboxamide
CID 67023236

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-5-carbonyl]amino]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-5-carbonyl]amino]cyclopentyl]acetic acid (CID 166426025) is 2-[1-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-5-carbonyl]amino]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-5-carbonyl]amino]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-5-carbonyl]amino]cyclopentyl]acetic acid is O=C(O)CC1(NC(=O)c2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3)CCCC1.
What is the InChIKey of 2-[1-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-5-carbonyl]amino]cyclopentyl]acetic acid?
The InChIKey is RTZVIHYBWDFLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O6/c25-16-6-5-15(19(29)22-16)24-11-13-4-3-12(9-14(13)20(24)30)18(28)23-21(10-17(26)27)7-1-2-8-21/h3-4,9,15H,1-2,5-8,10-11H2,(H,23,28)(H,26,27)(H,22,25,29).
What are the key properties of 2-[1-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-5-carbonyl]amino]cyclopentyl]acetic acid?
2-[1-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-5-carbonyl]amino]cyclopentyl]acetic acid has a molecular weight of 413.43 g/mol, XLogP of 0.96, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-5-carbonyl]amino]cyclopentyl]acetic acid is sourced from PubChem (CID 166426025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).