5-[[2-(5-methyl-1,3-dioxoisoindol-2-yl)acetyl]amino]pentanoic acid

C16H18N2O5 — CID 119234321

IUPAC5-[[2-(5-methyl-1,3-dioxoisoindol-2-yl)acetyl]amino]pentanoic acid
SMILESCc1ccc2c(c1)C(=O)N(CC(=O)NCCCCC(=O)O)C2=O
InChIInChI=1S/C16H18N2O5/c1-10-5-6-11-12(8-10)16(23)18(15(11)22)9-13(19)17-7-3-2-4-14(20)21/h5-6,8H,2-4,7,9H2,1H3,(H,17,19)(H,20,21)
InChIKeyQRXBQDVKEFZKIH-UHFFFAOYSA-N
MW318.33 g/mol
LogP0.96
Rot. Bonds7

About 5-[[2-(5-methyl-1,3-dioxoisoindol-2-yl)acetyl]amino]pentanoic acid

5-[[2-(5-methyl-1,3-dioxoisoindol-2-yl)acetyl]amino]pentanoic acid (PubChem CID 119234321) has the molecular formula C16H18N2O5 and a molecular weight of 318.33 g/mol. Its IUPAC name is 5-[[2-(5-methyl-1,3-dioxoisoindol-2-yl)acetyl]amino]pentanoic acid.

Molecular Properties

Compound Name5-[[2-(5-methyl-1,3-dioxoisoindol-2-yl)acetyl]amino]pentanoic acid
PubChem CID119234321
Molecular FormulaC16H18N2O5
Molecular Weight318.33 g/mol
Exact Mass318.12
IUPAC Name5-[[2-(5-methyl-1,3-dioxoisoindol-2-yl)acetyl]amino]pentanoic acid
SMILESCc1ccc2c(c1)C(=O)N(CC(=O)NCCCCC(=O)O)C2=O
InChIInChI=1S/C16H18N2O5/c1-10-5-6-11-12(8-10)16(23)18(15(11)22)9-13(19)17-7-3-2-4-14(20)21/h5-6,8H,2-4,7,9H2,1H3,(H,17,19)(H,20,21)
InChIKeyQRXBQDVKEFZKIH-UHFFFAOYSA-N
XLogP0.96
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[[2-(5-methyl-1,3-dioxoisoindol-2-yl)acetyl]amino]pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(3-propan-2-yloxypropyl)acetamide
CID 39710283
2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(2-phenylsulfanylethyl)acetamide
CID 26444764
N-(2-amino-2-ethylbutyl)-2-(5-methyl-1,3-dioxoisoindol-2-yl)acetamide
CID 119640987
2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(2-piperazin-1-ylethyl)acetamide
CID 119446180
5-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]pentanoic acid
CID 119234174
(2S)-2-[[2-(5-methyl-1,3-dioxoisoindol-2-yl)acetyl]amino]hexanoic acid
CID 120614308
N-(3-ethoxypropyl)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 27680688
6-[[2-[5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetyl]amino]hexanoic acid
CID 4763067
11-[[2-[5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetyl]amino]undecanoic acid
CID 4763068
(2R)-4-methyl-2-[[2-(5-methyl-1,3-dioxoisoindol-2-yl)acetyl]amino]pentanoic acid
CID 119364791
N-[(2-fluorophenyl)methyl]-2-(5-methyl-1,3-dioxoisoindol-2-yl)acetamide
CID 30847840
2-(1,3-dioxoisoindol-2-yl)-N-octadecylacetamide
CID 177420701

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(5-methyl-1,3-dioxoisoindol-2-yl)acetyl]amino]pentanoic acid?
The IUPAC name of 5-[[2-(5-methyl-1,3-dioxoisoindol-2-yl)acetyl]amino]pentanoic acid (CID 119234321) is 5-[[2-(5-methyl-1,3-dioxoisoindol-2-yl)acetyl]amino]pentanoic acid.
What is the SMILES notation for 5-[[2-(5-methyl-1,3-dioxoisoindol-2-yl)acetyl]amino]pentanoic acid?
The canonical SMILES for 5-[[2-(5-methyl-1,3-dioxoisoindol-2-yl)acetyl]amino]pentanoic acid is Cc1ccc2c(c1)C(=O)N(CC(=O)NCCCCC(=O)O)C2=O.
What is the InChIKey of 5-[[2-(5-methyl-1,3-dioxoisoindol-2-yl)acetyl]amino]pentanoic acid?
The InChIKey is QRXBQDVKEFZKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O5/c1-10-5-6-11-12(8-10)16(23)18(15(11)22)9-13(19)17-7-3-2-4-14(20)21/h5-6,8H,2-4,7,9H2,1H3,(H,17,19)(H,20,21).
What are the key properties of 5-[[2-(5-methyl-1,3-dioxoisoindol-2-yl)acetyl]amino]pentanoic acid?
5-[[2-(5-methyl-1,3-dioxoisoindol-2-yl)acetyl]amino]pentanoic acid has a molecular weight of 318.33 g/mol, XLogP of 0.96, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(5-methyl-1,3-dioxoisoindol-2-yl)acetyl]amino]pentanoic acid is sourced from PubChem (CID 119234321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).