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

C20H19NO5 — CID 7332926

IUPAC(3R)-3-(1,3-dioxoisoindol-2-yl)-3-(4-propan-2-yloxyphenyl)propanoic acid
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)/t17-/m1/s1
InChIKeyKJQRYVOOUYQWOG-QGZVFWFLSA-N
MW353.37 g/mol
LogP3.29
Rot. Bonds6

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

(3R)-3-(1,3-dioxoisoindol-2-yl)-3-(4-propan-2-yloxyphenyl)propanoic acid (PubChem CID 7332926) has the molecular formula C20H19NO5 and a molecular weight of 353.37 g/mol. Its IUPAC name is (3R)-3-(1,3-dioxoisoindol-2-yl)-3-(4-propan-2-yloxyphenyl)propanoic acid.

Molecular Properties

Compound Name(3R)-3-(1,3-dioxoisoindol-2-yl)-3-(4-propan-2-yloxyphenyl)propanoic acid
PubChem CID7332926
Molecular FormulaC20H19NO5
Molecular Weight353.37 g/mol
Exact Mass353.13
IUPAC Name(3R)-3-(1,3-dioxoisoindol-2-yl)-3-(4-propan-2-yloxyphenyl)propanoic acid
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)/t17-/m1/s1
InChIKeyKJQRYVOOUYQWOG-QGZVFWFLSA-N
XLogP3.29
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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)propanoate
CID 7332925
3-(1,3-dioxoisoindol-2-yl)-3-(4-methoxyphenyl)propanoic acid
CID 3121010
(3S)-3-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoic acid
CID 762962
3-phenyl-3-(4-propan-2-yloxyphenyl)propanoic acid
CID 2939109
ethyl 3-(1,3-dioxoisoindol-2-yl)-3-(4-methylphenyl)propanoate
CID 46253541
3-(1,3-dioxoisoindol-2-yl)-3-(2-methylphenyl)propanoic acid
CID 50877545
(3R)-3-(1,3-dioxoisoindol-2-yl)-4-methylpentanoic acid
CID 46895638
2-[(3S)-3-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)propyl]isoindole-1,3-dione
CID 2041078
2-[(1S)-1-phenylpropyl]isoindole-1,3-dione
CID 174517685
2-chloroethyl (3S)-3-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate
CID 25419800
[4-[1-(1,3-dioxoisoindol-2-yl)-3-methoxy-3-oxopropyl]phenyl]methyl-triphenylphosphanium
CID 23315134
3-amino-4-(4-propan-2-yloxyphenyl)butanoic acid
CID 82350711

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(1,3-dioxoisoindol-2-yl)-3-(4-propan-2-yloxyphenyl)propanoic acid?
The IUPAC name of (3R)-3-(1,3-dioxoisoindol-2-yl)-3-(4-propan-2-yloxyphenyl)propanoic acid (CID 7332926) is (3R)-3-(1,3-dioxoisoindol-2-yl)-3-(4-propan-2-yloxyphenyl)propanoic acid.
What is the SMILES notation for (3R)-3-(1,3-dioxoisoindol-2-yl)-3-(4-propan-2-yloxyphenyl)propanoic acid?
The canonical SMILES for (3R)-3-(1,3-dioxoisoindol-2-yl)-3-(4-propan-2-yloxyphenyl)propanoic acid 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)propanoic acid?
The InChIKey is KJQRYVOOUYQWOG-QGZVFWFLSA-N. 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)/t17-/m1/s1.
What are the key properties of (3R)-3-(1,3-dioxoisoindol-2-yl)-3-(4-propan-2-yloxyphenyl)propanoic acid?
(3R)-3-(1,3-dioxoisoindol-2-yl)-3-(4-propan-2-yloxyphenyl)propanoic acid has a molecular weight of 353.37 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(1,3-dioxoisoindol-2-yl)-3-(4-propan-2-yloxyphenyl)propanoic acid is sourced from PubChem (CID 7332926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).