tert-butyl 2-(1,3-dioxoisoindol-2-yl)-3-[(2-methylpropan-2-yl)oxy]propanoate

C19H25NO5 — CID 134882925

IUPACtert-butyl 2-(1,3-dioxoisoindol-2-yl)-3-[(2-methylpropan-2-yl)oxy]propanoate
SMILESCC(C)(C)OCC(C(=O)OC(C)(C)C)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C19H25NO5/c1-18(2,3)24-11-14(17(23)25-19(4,5)6)20-15(21)12-9-7-8-10-13(12)16(20)22/h7-10,14H,11H2,1-6H3
InChIKeyFELIZPXRPAUHKD-UHFFFAOYSA-N
MW347.41 g/mol
LogP2.81
Rot. Bonds4

About tert-butyl 2-(1,3-dioxoisoindol-2-yl)-3-[(2-methylpropan-2-yl)oxy]propanoate

tert-butyl 2-(1,3-dioxoisoindol-2-yl)-3-[(2-methylpropan-2-yl)oxy]propanoate (PubChem CID 134882925) has the molecular formula C19H25NO5 and a molecular weight of 347.41 g/mol. Its IUPAC name is tert-butyl 2-(1,3-dioxoisoindol-2-yl)-3-[(2-methylpropan-2-yl)oxy]propanoate.

Molecular Properties

Compound Nametert-butyl 2-(1,3-dioxoisoindol-2-yl)-3-[(2-methylpropan-2-yl)oxy]propanoate
PubChem CID134882925
Molecular FormulaC19H25NO5
Molecular Weight347.41 g/mol
Exact Mass347.17
IUPAC Nametert-butyl 2-(1,3-dioxoisoindol-2-yl)-3-[(2-methylpropan-2-yl)oxy]propanoate
SMILESCC(C)(C)OCC(C(=O)OC(C)(C)C)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C19H25NO5/c1-18(2,3)24-11-14(17(23)25-19(4,5)6)20-15(21)12-9-7-8-10-13(12)16(20)22/h7-10,14H,11H2,1-6H3
InChIKeyFELIZPXRPAUHKD-UHFFFAOYSA-N
XLogP2.81
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 52.81
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

tert-butyl (5S)-5-amino-2-(1,3-dioxoisoindol-2-yl)-6-methoxyhex-3-enoate
CID 57205296
tert-butyl 2-(1,3-dioxoisoindol-2-yl)-5-(phenylmethoxycarbonylamino)pentanoate
CID 175431597
tert-butyl (2S)-2-amino-3-(1,3-dioxoisoindol-2-yl)propanoate;hydrochloride
CID 127255651
tert-butyl N-[2-(1,3-dioxoisoindol-2-yl)-3-ethoxypropyl]carbamate
CID 90136000
2-(1,3-dioxoisoindol-2-yl)-4,4-dimethylpentanoic acid
CID 130960815
tert-butyl (2S)-3-benzylsulfanyl-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)propanoate
CID 102595936
methyl 2-amino-3-[(2R)-2-(1,3-dioxoisoindol-2-yl)-3-methoxy-3-oxopropoxy]propanoate
CID 144998859
tert-butyl (2S,6S)-6-(1,3-dioxoisoindol-2-yl)-4-oxo-7-phenyl-2-propan-2-ylheptanoate
CID 167587358
(3,3-dimethyl-2-oxobutyl) (2R)-2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanoate
CID 2441587
methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-4-hydroxybutanoate
CID 11139950
tert-butyl 3-[2-(1,3-dioxoisoindol-2-yl)-3-trityloxypropyl]sulfanylpropanoate
CID 11801840
methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-4-iodobutanoate
CID 91667087

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(1,3-dioxoisoindol-2-yl)-3-[(2-methylpropan-2-yl)oxy]propanoate?
The IUPAC name of tert-butyl 2-(1,3-dioxoisoindol-2-yl)-3-[(2-methylpropan-2-yl)oxy]propanoate (CID 134882925) is tert-butyl 2-(1,3-dioxoisoindol-2-yl)-3-[(2-methylpropan-2-yl)oxy]propanoate.
What is the SMILES notation for tert-butyl 2-(1,3-dioxoisoindol-2-yl)-3-[(2-methylpropan-2-yl)oxy]propanoate?
The canonical SMILES for tert-butyl 2-(1,3-dioxoisoindol-2-yl)-3-[(2-methylpropan-2-yl)oxy]propanoate is CC(C)(C)OCC(C(=O)OC(C)(C)C)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of tert-butyl 2-(1,3-dioxoisoindol-2-yl)-3-[(2-methylpropan-2-yl)oxy]propanoate?
The InChIKey is FELIZPXRPAUHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO5/c1-18(2,3)24-11-14(17(23)25-19(4,5)6)20-15(21)12-9-7-8-10-13(12)16(20)22/h7-10,14H,11H2,1-6H3.
What are the key properties of tert-butyl 2-(1,3-dioxoisoindol-2-yl)-3-[(2-methylpropan-2-yl)oxy]propanoate?
tert-butyl 2-(1,3-dioxoisoindol-2-yl)-3-[(2-methylpropan-2-yl)oxy]propanoate has a molecular weight of 347.41 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(1,3-dioxoisoindol-2-yl)-3-[(2-methylpropan-2-yl)oxy]propanoate is sourced from PubChem (CID 134882925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).