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

C20H19FN4O4 — CID 123859129

IUPAC(2R)-N-(1-amino-2H-isoindol-5-yl)-2-[(2R)-4-(3-fluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide
SMILESNc1[nH]cc2cc(NC(=O)[C@H](O)[C@H]3OCCN(c4cccc(F)c4)C3=O)ccc12
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/h1-5,8-10,16-17,23,26H,6-7,22H2,(H,24,27)/t16-,17-/m1/s1
InChIKeyCAJUIHDCVNOOMT-IAGOWNOFSA-N
MW398.39 g/mol
LogP1.62
Rot. Bonds4

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

(2R)-N-(1-amino-2H-isoindol-5-yl)-2-[(2R)-4-(3-fluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide (PubChem CID 123859129) has the molecular formula C20H19FN4O4 and a molecular weight of 398.39 g/mol. Its IUPAC name is (2R)-N-(1-amino-2H-isoindol-5-yl)-2-[(2R)-4-(3-fluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide.

Molecular Properties

Compound Name(2R)-N-(1-amino-2H-isoindol-5-yl)-2-[(2R)-4-(3-fluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide
PubChem CID123859129
Molecular FormulaC20H19FN4O4
Molecular Weight398.39 g/mol
Exact Mass398.14
IUPAC Name(2R)-N-(1-amino-2H-isoindol-5-yl)-2-[(2R)-4-(3-fluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide
SMILESNc1[nH]cc2cc(NC(=O)[C@H](O)[C@H]3OCCN(c4cccc(F)c4)C3=O)ccc12
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/h1-5,8-10,16-17,23,26H,6-7,22H2,(H,24,27)/t16-,17-/m1/s1
InChIKeyCAJUIHDCVNOOMT-IAGOWNOFSA-N
XLogP1.62
TPSA120.68 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.39
LogP ≤ 51.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(1-amino-2H-isoindol-5-yl)-2-[(2R)-4-(4-tert-butylphenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide
CID 123574337
(2R)-N-(1-amino-2H-isoindol-5-yl)-2-hydroxy-2-[(2R)-3-oxo-4-quinolin-7-ylmorpholin-2-yl]acetamide
CID 123985910
(2R)-N-(1-amino-2H-isoindol-5-yl)-2-hydroxy-2-[(2R)-4-[3-[(3R)-3-methoxypyrrolidine-1-carbonyl]phenyl]-3-oxomorpholin-2-yl]acetamide
CID 123243136
(2R)-N-(1-amino-2H-isoindol-5-yl)-2-hydroxy-2-[(2R)-4-[2-(3-hydroxy-3-methylbutoxy)phenyl]-3-oxomorpholin-2-yl]acetamide
CID 123292220
N-(4-aminophenyl)-2-hydroxy-2-[(2R)-4-[3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]acetamide
CID 140633327
(2R)-N-(1-aminoisoquinolin-6-yl)-2-[(2R)-4-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide
CID 58290684
N-(2,3-dihydro-1H-isoindol-5-yl)-2-hydroxy-2-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]acetamide
CID 67221899
(2R)-N-(4-carbamimidoyl-3-fluorophenyl)-2-hydroxy-2-[(2R)-3-oxo-4-phenylmorpholin-2-yl]acetamide
CID 58181622
N-(1-aminoisoquinolin-6-yl)-2-hydroxy-2-[3-oxo-4-[4-(trifluoromethyl)phenyl]morpholin-2-yl]acetamide
CID 75153689
[2-fluoro-4-[[(2R)-2-hydroxy-2-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]acetyl]amino]phenyl]methylcarbamic acid
CID 67033508
(2R)-N-(1-aminoisoquinolin-6-yl)-2-hydroxy-2-[(2R)-3-oxo-4-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)morpholin-2-yl]acetamide;hydrochloride
CID 67032365
2-[4-(3,5-difluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxy-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]acetamide
CID 136612275

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(1-amino-2H-isoindol-5-yl)-2-[(2R)-4-(3-fluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide?
The IUPAC name of (2R)-N-(1-amino-2H-isoindol-5-yl)-2-[(2R)-4-(3-fluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide (CID 123859129) is (2R)-N-(1-amino-2H-isoindol-5-yl)-2-[(2R)-4-(3-fluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide.
What is the SMILES notation for (2R)-N-(1-amino-2H-isoindol-5-yl)-2-[(2R)-4-(3-fluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide?
The canonical SMILES for (2R)-N-(1-amino-2H-isoindol-5-yl)-2-[(2R)-4-(3-fluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide is Nc1[nH]cc2cc(NC(=O)[C@H](O)[C@H]3OCCN(c4cccc(F)c4)C3=O)ccc12.
What is the InChIKey of (2R)-N-(1-amino-2H-isoindol-5-yl)-2-[(2R)-4-(3-fluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide?
The InChIKey is CAJUIHDCVNOOMT-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/h1-5,8-10,16-17,23,26H,6-7,22H2,(H,24,27)/t16-,17-/m1/s1.
What are the key properties of (2R)-N-(1-amino-2H-isoindol-5-yl)-2-[(2R)-4-(3-fluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide?
(2R)-N-(1-amino-2H-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 1.62, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(1-amino-2H-isoindol-5-yl)-2-[(2R)-4-(3-fluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide is sourced from PubChem (CID 123859129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).