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

C17H19NO4 — CID 101207743

IUPACmethyl 3-cyclopentyl-2-(1,3-dioxoisoindol-2-yl)propanoate
SMILESCOC(=O)C(CC1CCCC1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H19NO4/c1-22-17(21)14(10-11-6-2-3-7-11)18-15(19)12-8-4-5-9-13(12)16(18)20/h4-5,8-9,11,14H,2-3,6-7,10H2,1H3
InChIKeyZNZXMVMMOSPGOX-UHFFFAOYSA-N
MW301.34 g/mol
LogP2.40
Rot. Bonds4

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

methyl 3-cyclopentyl-2-(1,3-dioxoisoindol-2-yl)propanoate (PubChem CID 101207743) has the molecular formula C17H19NO4 and a molecular weight of 301.34 g/mol. Its IUPAC name is methyl 3-cyclopentyl-2-(1,3-dioxoisoindol-2-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-cyclopentyl-2-(1,3-dioxoisoindol-2-yl)propanoate
PubChem CID101207743
Molecular FormulaC17H19NO4
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC Namemethyl 3-cyclopentyl-2-(1,3-dioxoisoindol-2-yl)propanoate
SMILESCOC(=O)C(CC1CCCC1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H19NO4/c1-22-17(21)14(10-11-6-2-3-7-11)18-15(19)12-8-4-5-9-13(12)16(18)20/h4-5,8-9,11,14H,2-3,6-7,10H2,1H3
InChIKeyZNZXMVMMOSPGOX-UHFFFAOYSA-N
XLogP2.40
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 52.40
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
N-Phthaloylglycine
CID 20825
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
Phthalimidoperoxycaproic acid
CID 9860421
1,3-Dihydro-1,3-dioxo-2H-isoindole-2-hexanoic acid
CID 78185
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

Frequently Asked Questions

What is the IUPAC name of methyl 3-cyclopentyl-2-(1,3-dioxoisoindol-2-yl)propanoate?
The IUPAC name of methyl 3-cyclopentyl-2-(1,3-dioxoisoindol-2-yl)propanoate (CID 101207743) is methyl 3-cyclopentyl-2-(1,3-dioxoisoindol-2-yl)propanoate.
What is the SMILES notation for methyl 3-cyclopentyl-2-(1,3-dioxoisoindol-2-yl)propanoate?
The canonical SMILES for methyl 3-cyclopentyl-2-(1,3-dioxoisoindol-2-yl)propanoate is COC(=O)C(CC1CCCC1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of methyl 3-cyclopentyl-2-(1,3-dioxoisoindol-2-yl)propanoate?
The InChIKey is ZNZXMVMMOSPGOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4/c1-22-17(21)14(10-11-6-2-3-7-11)18-15(19)12-8-4-5-9-13(12)16(18)20/h4-5,8-9,11,14H,2-3,6-7,10H2,1H3.
What are the key properties of methyl 3-cyclopentyl-2-(1,3-dioxoisoindol-2-yl)propanoate?
methyl 3-cyclopentyl-2-(1,3-dioxoisoindol-2-yl)propanoate has a molecular weight of 301.34 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-cyclopentyl-2-(1,3-dioxoisoindol-2-yl)propanoate is sourced from PubChem (CID 101207743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).