1-[2-(5-methyl-1,3-dioxoisoindol-2-yl)propanoyl]piperidine-4-carboxylic acid

C18H20N2O5 — CID 119349799

IUPAC1-[2-(5-methyl-1,3-dioxoisoindol-2-yl)propanoyl]piperidine-4-carboxylic acid
SMILESCc1ccc2c(c1)C(=O)N(C(C)C(=O)N1CCC(C(=O)O)CC1)C2=O
InChIInChI=1S/C18H20N2O5/c1-10-3-4-13-14(9-10)17(23)20(16(13)22)11(2)15(21)19-7-5-12(6-8-19)18(24)25/h3-4,9,11-12H,5-8H2,1-2H3,(H,24,25)
InChIKeyAAMAJGNPZNXMRO-UHFFFAOYSA-N
MW344.37 g/mol
LogP1.30
Rot. Bonds3

About 1-[2-(5-methyl-1,3-dioxoisoindol-2-yl)propanoyl]piperidine-4-carboxylic acid

1-[2-(5-methyl-1,3-dioxoisoindol-2-yl)propanoyl]piperidine-4-carboxylic acid (PubChem CID 119349799) has the molecular formula C18H20N2O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is 1-[2-(5-methyl-1,3-dioxoisoindol-2-yl)propanoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(5-methyl-1,3-dioxoisoindol-2-yl)propanoyl]piperidine-4-carboxylic acid
PubChem CID119349799
Molecular FormulaC18H20N2O5
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC Name1-[2-(5-methyl-1,3-dioxoisoindol-2-yl)propanoyl]piperidine-4-carboxylic acid
SMILESCc1ccc2c(c1)C(=O)N(C(C)C(=O)N1CCC(C(=O)O)CC1)C2=O
InChIInChI=1S/C18H20N2O5/c1-10-3-4-13-14(9-10)17(23)20(16(13)22)11(2)15(21)19-7-5-12(6-8-19)18(24)25/h3-4,9,11-12H,5-8H2,1-2H3,(H,24,25)
InChIKeyAAMAJGNPZNXMRO-UHFFFAOYSA-N
XLogP1.30
TPSA94.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-[2-(5-methyl-1,3-dioxoisoindol-2-yl)propanoyl]pyrrolidine-2-carboxylic acid
CID 122065095
2-[1-[3-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl]-5-methylisoindole-1,3-dione
CID 119594509
[1-(azepan-1-yl)-1-oxopropan-2-yl] 2-(5-methyl-1,3-dioxoisoindol-2-yl)propanoate
CID 46630082
2-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]isoindole-1,3-dione
CID 23738645
1-[2-(2,5-dimethylphenoxy)propanoyl]piperidine-4-carboxylic acid
CID 54793798
[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2-(5-methyl-1,3-dioxoisoindol-2-yl)propanoate
CID 55375313
1-(2-methyl-1,3-dioxoisoindole-5-carbonyl)piperidine-4-carboxylic acid
CID 45427138
2-[1-[4-[2-(2,4-dimethylphenoxy)acetyl]piperazin-1-yl]-1-oxopropan-2-yl]isoindole-1,3-dione
CID 108534572
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 120944416
1-[(4-methylbenzoyl)carbamothioyl]piperidine-4-carboxylic acid
CID 91687694
2-[(2R)-1-[13-[(2R)-2-(1,3-dioxoisoindol-2-yl)propanoyl]-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]-1-oxopropan-2-yl]isoindole-1,3-dione
CID 7073934
N-(2-amino-1-cyclohexylethyl)-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 119590379

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-methyl-1,3-dioxoisoindol-2-yl)propanoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(5-methyl-1,3-dioxoisoindol-2-yl)propanoyl]piperidine-4-carboxylic acid (CID 119349799) is 1-[2-(5-methyl-1,3-dioxoisoindol-2-yl)propanoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(5-methyl-1,3-dioxoisoindol-2-yl)propanoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(5-methyl-1,3-dioxoisoindol-2-yl)propanoyl]piperidine-4-carboxylic acid is Cc1ccc2c(c1)C(=O)N(C(C)C(=O)N1CCC(C(=O)O)CC1)C2=O.
What is the InChIKey of 1-[2-(5-methyl-1,3-dioxoisoindol-2-yl)propanoyl]piperidine-4-carboxylic acid?
The InChIKey is AAMAJGNPZNXMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5/c1-10-3-4-13-14(9-10)17(23)20(16(13)22)11(2)15(21)19-7-5-12(6-8-19)18(24)25/h3-4,9,11-12H,5-8H2,1-2H3,(H,24,25).
What are the key properties of 1-[2-(5-methyl-1,3-dioxoisoindol-2-yl)propanoyl]piperidine-4-carboxylic acid?
1-[2-(5-methyl-1,3-dioxoisoindol-2-yl)propanoyl]piperidine-4-carboxylic acid has a molecular weight of 344.37 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-methyl-1,3-dioxoisoindol-2-yl)propanoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 119349799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).