[(1R)-1-phenylethyl] (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate

C19H17NO4 — CID 8926307

IUPAC[(1R)-1-phenylethyl] (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate
SMILESC[C@H](C(=O)O[C@H](C)c1ccccc1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C19H17NO4/c1-12(19(23)24-13(2)14-8-4-3-5-9-14)20-17(21)15-10-6-7-11-16(15)18(20)22/h3-13H,1-2H3/t12-,13-/m1/s1
InChIKeyWWBKAOSHUPPIMB-CHWSQXEVSA-N
MW323.35 g/mol
LogP2.98
Rot. Bonds4

About [(1R)-1-phenylethyl] (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate

[(1R)-1-phenylethyl] (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate (PubChem CID 8926307) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is [(1R)-1-phenylethyl] (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate.

Molecular Properties

Compound Name[(1R)-1-phenylethyl] (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate
PubChem CID8926307
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC Name[(1R)-1-phenylethyl] (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate
SMILESC[C@H](C(=O)O[C@H](C)c1ccccc1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C19H17NO4/c1-12(19(23)24-13(2)14-8-4-3-5-9-14)20-17(21)15-10-6-7-11-16(15)18(20)22/h3-13H,1-2H3/t12-,13-/m1/s1
InChIKeyWWBKAOSHUPPIMB-CHWSQXEVSA-N
XLogP2.98
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.98
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

propan-2-yl 2-(1,3-dioxoisoindol-2-yl)propanoate
CID 75674147
[(1S)-2-oxo-1,2-diphenylethyl] (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 8926233
[(2R)-1-amino-1-oxopropan-2-yl] (2S)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 8926563
[(2S)-1-amino-1-oxopropan-2-yl] (2S)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 8926560
[2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(1,3-dioxoisoindol-2-yl)propanoate
CID 55316869
2-oxopropyl 2-(1,3-dioxoisoindol-2-yl)propanoate
CID 42970136
phenacyl (2S)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 695300
[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] (2S)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 135820793
[(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl] (2S)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 2597358
[(1R)-1,2-bis(4-methylphenyl)-2-oxoethyl] (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 2435251
ethenyl (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 693846
[2-[di(propan-2-yl)amino]-2-oxoethyl] (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 2597192

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-phenylethyl] (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate?
The IUPAC name of [(1R)-1-phenylethyl] (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate (CID 8926307) is [(1R)-1-phenylethyl] (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate.
What is the SMILES notation for [(1R)-1-phenylethyl] (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate?
The canonical SMILES for [(1R)-1-phenylethyl] (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate is C[C@H](C(=O)O[C@H](C)c1ccccc1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of [(1R)-1-phenylethyl] (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate?
The InChIKey is WWBKAOSHUPPIMB-CHWSQXEVSA-N. The full InChI is InChI=1S/C19H17NO4/c1-12(19(23)24-13(2)14-8-4-3-5-9-14)20-17(21)15-10-6-7-11-16(15)18(20)22/h3-13H,1-2H3/t12-,13-/m1/s1.
What are the key properties of [(1R)-1-phenylethyl] (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate?
[(1R)-1-phenylethyl] (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate has a molecular weight of 323.35 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-phenylethyl] (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate is sourced from PubChem (CID 8926307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).