ethyl 3-cyclopentyl-2-(1,3-dioxoisoindol-2-yl)propanoate

C18H21NO4 — CID 11290015

IUPACethyl 3-cyclopentyl-2-(1,3-dioxoisoindol-2-yl)propanoate
SMILESCCOC(=O)C(CC1CCCC1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H21NO4/c1-2-23-18(22)15(11-12-7-3-4-8-12)19-16(20)13-9-5-6-10-14(13)17(19)21/h5-6,9-10,12,15H,2-4,7-8,11H2,1H3
InChIKeyWDBLYRIYBQGMAD-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.79
Rot. Bonds5

About ethyl 3-cyclopentyl-2-(1,3-dioxoisoindol-2-yl)propanoate

ethyl 3-cyclopentyl-2-(1,3-dioxoisoindol-2-yl)propanoate (PubChem CID 11290015) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is ethyl 3-cyclopentyl-2-(1,3-dioxoisoindol-2-yl)propanoate.

Molecular Properties

Compound Nameethyl 3-cyclopentyl-2-(1,3-dioxoisoindol-2-yl)propanoate
PubChem CID11290015
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC Nameethyl 3-cyclopentyl-2-(1,3-dioxoisoindol-2-yl)propanoate
SMILESCCOC(=O)C(CC1CCCC1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H21NO4/c1-2-23-18(22)15(11-12-7-3-4-8-12)19-16(20)13-9-5-6-10-14(13)17(19)21/h5-6,9-10,12,15H,2-4,7-8,11H2,1H3
InChIKeyWDBLYRIYBQGMAD-UHFFFAOYSA-N
XLogP2.79
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-phthaloyl-L-glutamic acid
CID 160453
2-Phthalimidobutyrolactone
CID 2783926
2-Phthalimidopropionic acid
CID 86884
N-Phthaloyl-DL-phenylalanine
CID 227754
N-Phthaloyl-DL-glutamic acid
CID 92225
(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)(phenyl)acetic acid
CID 272803
2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-methylbutanoic acid
CID 138417
(2S)-2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-phenylpropanoic acid
CID 334207
Pht-Ala-OH
CID 720644
(2S)-3-methyl-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)butanoic acid
CID 1486764
(2R)-3-methyl-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)butanoic acid
CID 1486765
(2S)-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-3-phenylpropanoic acid
CID 5309580

Frequently Asked Questions

What is the IUPAC name of ethyl 3-cyclopentyl-2-(1,3-dioxoisoindol-2-yl)propanoate?
The IUPAC name of ethyl 3-cyclopentyl-2-(1,3-dioxoisoindol-2-yl)propanoate (CID 11290015) is ethyl 3-cyclopentyl-2-(1,3-dioxoisoindol-2-yl)propanoate.
What is the SMILES notation for ethyl 3-cyclopentyl-2-(1,3-dioxoisoindol-2-yl)propanoate?
The canonical SMILES for ethyl 3-cyclopentyl-2-(1,3-dioxoisoindol-2-yl)propanoate is CCOC(=O)C(CC1CCCC1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of ethyl 3-cyclopentyl-2-(1,3-dioxoisoindol-2-yl)propanoate?
The InChIKey is WDBLYRIYBQGMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4/c1-2-23-18(22)15(11-12-7-3-4-8-12)19-16(20)13-9-5-6-10-14(13)17(19)21/h5-6,9-10,12,15H,2-4,7-8,11H2,1H3.
What are the key properties of ethyl 3-cyclopentyl-2-(1,3-dioxoisoindol-2-yl)propanoate?
ethyl 3-cyclopentyl-2-(1,3-dioxoisoindol-2-yl)propanoate has a molecular weight of 315.37 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-cyclopentyl-2-(1,3-dioxoisoindol-2-yl)propanoate is sourced from PubChem (CID 11290015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).