N-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide

C25H26FN5O6 — CID 67222893

IUPACN-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide
SMILESNC1=NCc2cc(NC(=O)C(O)[C@H]3OCCN(c4ccc(F)c(C(=O)N5CCOCC5)c4)C3=O)ccc21
InChIInChI=1S/C25H26FN5O6/c26-19-4-2-16(12-18(19)24(34)30-5-8-36-9-6-30)31-7-10-37-21(25(31)35)20(32)23(33)29-15-1-3-17-14(11-15)13-28-22(17)27/h1-4,11-12,20-21,32H,5-10,13H2,(H2,27,28)(H,29,33)/t20?,21-/m1/s1
InChIKeyZRZGZVHVOBYTAY-BPGUCPLFSA-N
MW511.51 g/mol
LogP0.25
Rot. Bonds5

About N-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide

N-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide (PubChem CID 67222893) has the molecular formula C25H26FN5O6 and a molecular weight of 511.51 g/mol. Its IUPAC name is N-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide.

Molecular Properties

Compound NameN-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide
PubChem CID67222893
Molecular FormulaC25H26FN5O6
Molecular Weight511.51 g/mol
Exact Mass511.19
IUPAC NameN-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide
SMILESNC1=NCc2cc(NC(=O)C(O)[C@H]3OCCN(c4ccc(F)c(C(=O)N5CCOCC5)c4)C3=O)ccc21
InChIInChI=1S/C25H26FN5O6/c26-19-4-2-16(12-18(19)24(34)30-5-8-36-9-6-30)31-7-10-37-21(25(31)35)20(32)23(33)29-15-1-3-17-14(11-15)13-28-22(17)27/h1-4,11-12,20-21,32H,5-10,13H2,(H2,27,28)(H,29,33)/t20?,21-/m1/s1
InChIKeyZRZGZVHVOBYTAY-BPGUCPLFSA-N
XLogP0.25
TPSA146.79 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.51
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

N-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-(2-cyanophenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide
CID 50995571
(2R)-2-[(2R)-4-(4-tert-butylphenyl)-3-oxomorpholin-2-yl]-N-(4-carbamimidoyl-2-fluorophenyl)-2-hydroxyacetamide
CID 58181818
(2R)-N-(4-carbamimidoylphenyl)-2-hydroxy-2-[(2R)-3-oxo-4-[3-oxo-2-(2,2,2-trifluoroethyl)-1H-isoindol-5-yl]morpholin-2-yl]acetamide
CID 46223994
(2R)-N-(4-carbamimidoyl-3-fluorophenyl)-2-hydroxy-2-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]acetamide
CID 50995397
(2R)-N-[1-amino-7-(trifluoromethyl)-3H-isoindol-5-yl]-2-hydroxy-2-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]acetamide
CID 50995398
(2R)-N-(1-amino-3H-isoindol-5-yl)-2-hydroxy-2-[(2R)-3-oxo-4-[2-(trifluoromethyl)phenyl]morpholin-2-yl]acetamide
CID 50995575
(2S)-1-[3-[(2R)-2-[(1R)-2-(4-carbamimidoylanilino)-1-hydroxy-2-oxoethyl]-3-oxomorpholin-4-yl]-5-fluorobenzoyl]pyrrolidine-2-carboxylic acid
CID 50997353
(2R)-N-(4-carbamimidoylphenyl)-2-[(2R)-4-[3-fluoro-5-(pyrrolidine-1-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide
CID 58181373
(2R)-N-(4-carbamimidoylphenyl)-2-[(2R)-4-(2-fluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide
CID 58181392
(2R)-N-[4-(1-aminoethenyl)phenyl]-2-hydroxy-2-[(2R)-3-oxo-4-[3-oxo-2-(2,2,2-trifluoroethyl)-1H-isoindol-5-yl]morpholin-2-yl]acetamide
CID 58181407
(2R)-N-(4-carbamimidoylphenyl)-2-[(2R)-4-(3,5-difluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide
CID 58181415
(2R)-N-(4-carbamimidoylphenyl)-2-[(2R)-4-(3-fluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide
CID 58181420

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide?
The IUPAC name of N-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide (CID 67222893) is N-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide.
What is the SMILES notation for N-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide?
The canonical SMILES for N-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide is NC1=NCc2cc(NC(=O)C(O)[C@H]3OCCN(c4ccc(F)c(C(=O)N5CCOCC5)c4)C3=O)ccc21.
What is the InChIKey of N-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide?
The InChIKey is ZRZGZVHVOBYTAY-BPGUCPLFSA-N. The full InChI is InChI=1S/C25H26FN5O6/c26-19-4-2-16(12-18(19)24(34)30-5-8-36-9-6-30)31-7-10-37-21(25(31)35)20(32)23(33)29-15-1-3-17-14(11-15)13-28-22(17)27/h1-4,11-12,20-21,32H,5-10,13H2,(H2,27,28)(H,29,33)/t20?,21-/m1/s1.
What are the key properties of N-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide?
N-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide has a molecular weight of 511.51 g/mol, XLogP of 0.25, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide is sourced from PubChem (CID 67222893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).