(2R)-N-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-(3-fluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide

C20H19FN4O4 — CID 58181781

IUPAC(2R)-N-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-(3-fluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide
SMILESNC1=NCc2cc(NC(=O)[C@H](O)[C@H]3OCCN(c4cccc(F)c4)C3=O)ccc21
InChIInChI=1S/C20H19FN4O4/c21-12-2-1-3-14(9-12)25-6-7-29-17(20(25)28)16(26)19(27)24-13-4-5-15-11(8-13)10-23-18(15)22/h1-5,8-9,16-17,26H,6-7,10H2,(H2,22,23)(H,24,27)/t16-,17-/m1/s1
InChIKeyXMSHBWKTVPSIGS-IAGOWNOFSA-N
MW398.39 g/mol
LogP0.78
Rot. Bonds4

About (2R)-N-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-(3-fluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide

(2R)-N-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-(3-fluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide (PubChem CID 58181781) has the molecular formula C20H19FN4O4 and a molecular weight of 398.39 g/mol. Its IUPAC name is (2R)-N-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-(3-fluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide.

Molecular Properties

Compound Name(2R)-N-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-(3-fluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide
PubChem CID58181781
Molecular FormulaC20H19FN4O4
Molecular Weight398.39 g/mol
Exact Mass398.14
IUPAC Name(2R)-N-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-(3-fluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide
SMILESNC1=NCc2cc(NC(=O)[C@H](O)[C@H]3OCCN(c4cccc(F)c4)C3=O)ccc21
InChIInChI=1S/C20H19FN4O4/c21-12-2-1-3-14(9-12)25-6-7-29-17(20(25)28)16(26)19(27)24-13-4-5-15-11(8-13)10-23-18(15)22/h1-5,8-9,16-17,26H,6-7,10H2,(H2,22,23)(H,24,27)/t16-,17-/m1/s1
InChIKeyXMSHBWKTVPSIGS-IAGOWNOFSA-N
XLogP0.78
TPSA117.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.39
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-(3-fluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide?
The IUPAC name of (2R)-N-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-(3-fluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide (CID 58181781) is (2R)-N-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-(3-fluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide.
What is the SMILES notation for (2R)-N-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-(3-fluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide?
The canonical SMILES for (2R)-N-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-(3-fluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide is NC1=NCc2cc(NC(=O)[C@H](O)[C@H]3OCCN(c4cccc(F)c4)C3=O)ccc21.
What is the InChIKey of (2R)-N-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-(3-fluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide?
The InChIKey is XMSHBWKTVPSIGS-IAGOWNOFSA-N. The full InChI is InChI=1S/C20H19FN4O4/c21-12-2-1-3-14(9-12)25-6-7-29-17(20(25)28)16(26)19(27)24-13-4-5-15-11(8-13)10-23-18(15)22/h1-5,8-9,16-17,26H,6-7,10H2,(H2,22,23)(H,24,27)/t16-,17-/m1/s1.
What are the key properties of (2R)-N-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-(3-fluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide?
(2R)-N-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-(3-fluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide has a molecular weight of 398.39 g/mol, XLogP of 0.78, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-(3-fluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide is sourced from PubChem (CID 58181781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).