(3R)-3-(1,3-dioxoisoindol-2-yl)-3-(4-propan-2-yloxyphenyl)propanoate

C20H18NO5- — CID 7332925

IUPAC(3R)-3-(1,3-dioxoisoindol-2-yl)-3-(4-propan-2-yloxyphenyl)propanoate
SMILESCC(C)Oc1ccc([C@@H](CC(=O)[O-])N2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C20H19NO5/c1-12(2)26-14-9-7-13(8-10-14)17(11-18(22)23)21-19(24)15-5-3-4-6-16(15)20(21)25/h3-10,12,17H,11H2,1-2H3,(H,22,23)/p-1/t17-/m1/s1
InChIKeyKJQRYVOOUYQWOG-QGZVFWFLSA-M
MW352.37 g/mol
LogP1.95
Rot. Bonds6

About (3R)-3-(1,3-dioxoisoindol-2-yl)-3-(4-propan-2-yloxyphenyl)propanoate

(3R)-3-(1,3-dioxoisoindol-2-yl)-3-(4-propan-2-yloxyphenyl)propanoate (PubChem CID 7332925) has the molecular formula C20H18NO5- and a molecular weight of 352.37 g/mol. Its IUPAC name is (3R)-3-(1,3-dioxoisoindol-2-yl)-3-(4-propan-2-yloxyphenyl)propanoate.

Molecular Properties

Compound Name(3R)-3-(1,3-dioxoisoindol-2-yl)-3-(4-propan-2-yloxyphenyl)propanoate
PubChem CID7332925
Molecular FormulaC20H18NO5-
Molecular Weight352.37 g/mol
Exact Mass352.12
IUPAC Name(3R)-3-(1,3-dioxoisoindol-2-yl)-3-(4-propan-2-yloxyphenyl)propanoate
SMILESCC(C)Oc1ccc([C@@H](CC(=O)[O-])N2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C20H19NO5/c1-12(2)26-14-9-7-13(8-10-14)17(11-18(22)23)21-19(24)15-5-3-4-6-16(15)20(21)25/h3-10,12,17H,11H2,1-2H3,(H,22,23)/p-1/t17-/m1/s1
InChIKeyKJQRYVOOUYQWOG-QGZVFWFLSA-M
XLogP1.95
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 51.95
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

(3R)-3-(1,3-dioxoisoindol-2-yl)-3-(4-propan-2-yloxyphenyl)propanoic acid
CID 7332926
3-(1,3-dioxoisoindol-2-yl)-3-(4-methoxyphenyl)propanoic acid
CID 3121010
ethyl 3-(1,3-dioxoisoindol-2-yl)-3-(4-methylphenyl)propanoate
CID 46253541
(3S)-3-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoic acid
CID 762962
(3R)-5-amino-5-oxo-3-(4-propan-2-yloxyphenyl)pentanoate
CID 6946319
2-[(3S)-3-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)propyl]isoindole-1,3-dione
CID 2041078
3-phenyl-3-(4-propan-2-yloxyphenyl)propanoic acid
CID 2939109
(3R)-3-[[(3S)-3-phenylbutanoyl]amino]-3-(4-propan-2-yloxyphenyl)propanoate
CID 7044840
2-[(1S)-1-phenylpropyl]isoindole-1,3-dione
CID 174517685
[4-[1-(1,3-dioxoisoindol-2-yl)-3-methoxy-3-oxopropyl]phenyl]methyl-triphenylphosphanium
CID 23315134
2-chloroethyl (3S)-3-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate
CID 25419800
3-(benzylsulfonylamino)-3-(4-propan-2-yloxyphenyl)propanoate
CID 4645944

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(1,3-dioxoisoindol-2-yl)-3-(4-propan-2-yloxyphenyl)propanoate?
The IUPAC name of (3R)-3-(1,3-dioxoisoindol-2-yl)-3-(4-propan-2-yloxyphenyl)propanoate (CID 7332925) is (3R)-3-(1,3-dioxoisoindol-2-yl)-3-(4-propan-2-yloxyphenyl)propanoate.
What is the SMILES notation for (3R)-3-(1,3-dioxoisoindol-2-yl)-3-(4-propan-2-yloxyphenyl)propanoate?
The canonical SMILES for (3R)-3-(1,3-dioxoisoindol-2-yl)-3-(4-propan-2-yloxyphenyl)propanoate is CC(C)Oc1ccc([C@@H](CC(=O)[O-])N2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of (3R)-3-(1,3-dioxoisoindol-2-yl)-3-(4-propan-2-yloxyphenyl)propanoate?
The InChIKey is KJQRYVOOUYQWOG-QGZVFWFLSA-M. The full InChI is InChI=1S/C20H19NO5/c1-12(2)26-14-9-7-13(8-10-14)17(11-18(22)23)21-19(24)15-5-3-4-6-16(15)20(21)25/h3-10,12,17H,11H2,1-2H3,(H,22,23)/p-1/t17-/m1/s1.
What are the key properties of (3R)-3-(1,3-dioxoisoindol-2-yl)-3-(4-propan-2-yloxyphenyl)propanoate?
(3R)-3-(1,3-dioxoisoindol-2-yl)-3-(4-propan-2-yloxyphenyl)propanoate has a molecular weight of 352.37 g/mol, XLogP of 1.95, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(1,3-dioxoisoindol-2-yl)-3-(4-propan-2-yloxyphenyl)propanoate is sourced from PubChem (CID 7332925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).