(2R)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-[[2-(3-oxo-1H-isoindol-2-yl)acetyl]amino]acetic acid

C20H18N2O5 — CID 171359374

IUPAC(2R)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-[[2-(3-oxo-1H-isoindol-2-yl)acetyl]amino]acetic acid
SMILESO=C(CN1Cc2ccccc2C1=O)N[C@@H](C(=O)O)c1ccc2c(c1)CCO2
InChIInChI=1S/C20H18N2O5/c23-17(11-22-10-14-3-1-2-4-15(14)19(22)24)21-18(20(25)26)13-5-6-16-12(9-13)7-8-27-16/h1-6,9,18H,7-8,10-11H2,(H,21,23)(H,25,26)/t18-/m1/s1
InChIKeyUGEVNKBUFMYAAE-GOSISDBHSA-N
MW366.37 g/mol
LogP1.52
Rot. Bonds5

About (2R)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-[[2-(3-oxo-1H-isoindol-2-yl)acetyl]amino]acetic acid

(2R)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-[[2-(3-oxo-1H-isoindol-2-yl)acetyl]amino]acetic acid (PubChem CID 171359374) has the molecular formula C20H18N2O5 and a molecular weight of 366.37 g/mol. Its IUPAC name is (2R)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-[[2-(3-oxo-1H-isoindol-2-yl)acetyl]amino]acetic acid.

Molecular Properties

Compound Name(2R)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-[[2-(3-oxo-1H-isoindol-2-yl)acetyl]amino]acetic acid
PubChem CID171359374
Molecular FormulaC20H18N2O5
Molecular Weight366.37 g/mol
Exact Mass366.12
IUPAC Name(2R)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-[[2-(3-oxo-1H-isoindol-2-yl)acetyl]amino]acetic acid
SMILESO=C(CN1Cc2ccccc2C1=O)N[C@@H](C(=O)O)c1ccc2c(c1)CCO2
InChIInChI=1S/C20H18N2O5/c23-17(11-22-10-14-3-1-2-4-15(14)19(22)24)21-18(20(25)26)13-5-6-16-12(9-13)7-8-27-16/h1-6,9,18H,7-8,10-11H2,(H,21,23)(H,25,26)/t18-/m1/s1
InChIKeyUGEVNKBUFMYAAE-GOSISDBHSA-N
XLogP1.52
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-[[2-(3-oxo-1H-isoindol-2-yl)acetyl]amino]acetic acid?
The IUPAC name of (2R)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-[[2-(3-oxo-1H-isoindol-2-yl)acetyl]amino]acetic acid (CID 171359374) is (2R)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-[[2-(3-oxo-1H-isoindol-2-yl)acetyl]amino]acetic acid.
What is the SMILES notation for (2R)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-[[2-(3-oxo-1H-isoindol-2-yl)acetyl]amino]acetic acid?
The canonical SMILES for (2R)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-[[2-(3-oxo-1H-isoindol-2-yl)acetyl]amino]acetic acid is O=C(CN1Cc2ccccc2C1=O)N[C@@H](C(=O)O)c1ccc2c(c1)CCO2.
What is the InChIKey of (2R)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-[[2-(3-oxo-1H-isoindol-2-yl)acetyl]amino]acetic acid?
The InChIKey is UGEVNKBUFMYAAE-GOSISDBHSA-N. The full InChI is InChI=1S/C20H18N2O5/c23-17(11-22-10-14-3-1-2-4-15(14)19(22)24)21-18(20(25)26)13-5-6-16-12(9-13)7-8-27-16/h1-6,9,18H,7-8,10-11H2,(H,21,23)(H,25,26)/t18-/m1/s1.
What are the key properties of (2R)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-[[2-(3-oxo-1H-isoindol-2-yl)acetyl]amino]acetic acid?
(2R)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-[[2-(3-oxo-1H-isoindol-2-yl)acetyl]amino]acetic acid has a molecular weight of 366.37 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-[[2-(3-oxo-1H-isoindol-2-yl)acetyl]amino]acetic acid is sourced from PubChem (CID 171359374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).