benzyl (2R)-2-(1,3-dioxoisoindol-2-yl)oxypropanoate

C18H15NO5 — CID 10592122

IUPACbenzyl (2R)-2-(1,3-dioxoisoindol-2-yl)oxypropanoate
SMILESC[C@@H](ON1C(=O)c2ccccc2C1=O)C(=O)OCc1ccccc1
InChIInChI=1S/C18H15NO5/c1-12(18(22)23-11-13-7-3-2-4-8-13)24-19-16(20)14-9-5-6-10-15(14)17(19)21/h2-10,12H,11H2,1H3/t12-/m1/s1
InChIKeyILEVVWHGYIIWGR-GFCCVEGCSA-N
MW325.32 g/mol
LogP2.35
Rot. Bonds5

About benzyl (2R)-2-(1,3-dioxoisoindol-2-yl)oxypropanoate

benzyl (2R)-2-(1,3-dioxoisoindol-2-yl)oxypropanoate (PubChem CID 10592122) has the molecular formula C18H15NO5 and a molecular weight of 325.32 g/mol. Its IUPAC name is benzyl (2R)-2-(1,3-dioxoisoindol-2-yl)oxypropanoate.

Molecular Properties

Compound Namebenzyl (2R)-2-(1,3-dioxoisoindol-2-yl)oxypropanoate
PubChem CID10592122
Molecular FormulaC18H15NO5
Molecular Weight325.32 g/mol
Exact Mass325.10
IUPAC Namebenzyl (2R)-2-(1,3-dioxoisoindol-2-yl)oxypropanoate
SMILESC[C@@H](ON1C(=O)c2ccccc2C1=O)C(=O)OCc1ccccc1
InChIInChI=1S/C18H15NO5/c1-12(18(22)23-11-13-7-3-2-4-8-13)24-19-16(20)14-9-5-6-10-15(14)17(19)21/h2-10,12H,11H2,1H3/t12-/m1/s1
InChIKeyILEVVWHGYIIWGR-GFCCVEGCSA-N
XLogP2.35
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

benzyl (2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(1,3-dioxoisoindol-2-yl)oxypropanoate
CID 10789943
1-O-methyl 2-O-(1-oxo-1-phenylmethoxypropan-2-yl) oxalate
CID 172654611
(4-phenylphenyl)methyl (2R)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoate
CID 22748086
benzyl N-[2-[2-(1,3-dioxoisoindol-2-yl)propanoylamino]ethyl]carbamate
CID 108571870
benzyl N-[1-[(1,3-dioxoisoindol-2-yl)amino]-1-oxopropan-2-yl]carbamate
CID 11199431
benzyl (2S)-2-aminopropanoate
CID 726858
2-(1,3-dioxoisoindol-2-yl)oxy-4-methylpentanoic acid
CID 85158774
methyl (2S)-4-(1,3-dioxoisoindol-2-yl)oxy-2-(phenylmethoxycarbonylamino)butanoate
CID 102474081
(1,3-dioxoisoindol-2-yl) 2-acetamido-3-phenylpropanoate
CID 146479587
[1-oxo-1-[1-oxo-1-[1-oxo-1-(1-oxo-1-phenylmethoxypropan-2-yl)oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl] 2-acetyloxypropanoate
CID 126688958
[(2R)-1-oxo-1-[(2R)-1-oxo-1-[(2R)-1-oxo-1-[(2R)-1-oxo-1-phenylmethoxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl] (2S)-2-hydroxypropanoate
CID 126705764
[(2S)-1-oxo-1-[(2S)-1-oxo-1-[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl] (2S)-2-acetyloxypropanoate
CID 126688929

Frequently Asked Questions

What is the IUPAC name of benzyl (2R)-2-(1,3-dioxoisoindol-2-yl)oxypropanoate?
The IUPAC name of benzyl (2R)-2-(1,3-dioxoisoindol-2-yl)oxypropanoate (CID 10592122) is benzyl (2R)-2-(1,3-dioxoisoindol-2-yl)oxypropanoate.
What is the SMILES notation for benzyl (2R)-2-(1,3-dioxoisoindol-2-yl)oxypropanoate?
The canonical SMILES for benzyl (2R)-2-(1,3-dioxoisoindol-2-yl)oxypropanoate is C[C@@H](ON1C(=O)c2ccccc2C1=O)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (2R)-2-(1,3-dioxoisoindol-2-yl)oxypropanoate?
The InChIKey is ILEVVWHGYIIWGR-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H15NO5/c1-12(18(22)23-11-13-7-3-2-4-8-13)24-19-16(20)14-9-5-6-10-15(14)17(19)21/h2-10,12H,11H2,1H3/t12-/m1/s1.
What are the key properties of benzyl (2R)-2-(1,3-dioxoisoindol-2-yl)oxypropanoate?
benzyl (2R)-2-(1,3-dioxoisoindol-2-yl)oxypropanoate has a molecular weight of 325.32 g/mol, XLogP of 2.35, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2R)-2-(1,3-dioxoisoindol-2-yl)oxypropanoate is sourced from PubChem (CID 10592122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).