(2R)-2-acetyloxy-2-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]acetic acid;(2R)-2-hydroxy-N-(2-methyl-1H-inden-5-yl)-2-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]acetamide;methanol;2-methyl-1H-inden-5-amine;[(1R)-2-[(2-methyl-1H-inden-5-yl)amino]-2-oxo-1-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]ethyl] acetate

C83H91N9O22 — CID 158644312

IUPAC(2R)-2-acetyloxy-2-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]acetic acid;(2R)-2-hydroxy-N-(2-methyl-1H-inden-5-yl)-2-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]acetamide;methanol;2-methyl-1H-inden-5-amine;[(1R)-2-[(2-methyl-1H-inden-5-yl)amino]-2-oxo-1-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]ethyl] acetate
SMILESCC(=O)O[C@@H](C(=O)Nc1ccc2c(c1)C=C(C)C2)[C@H]1OCCN(c2cccc(N3CCOCC3=O)c2)C1=O.CC(=O)O[C@@H](C(=O)O)[C@H]1OCCN(c2cccc(N3CCOCC3=O)c2)C1=O.CC1=Cc2cc(N)ccc2C1.CC1=Cc2cc(NC(=O)[C@H](O)[C@H]3OCCN(c4cccc(N5CCOCC5=O)c4)C3=O)ccc2C1.CO
InChIInChI=1S/C28H29N3O7.C26H27N3O6.C18H20N2O8.C10H11N.CH4O/c1-17-12-19-6-7-21(14-20(19)13-17)29-27(34)25(38-18(2)32)26-28(35)31(9-11-37-26)23-5-3-4-22(15-23)30-8-10-36-16-24(30)33;1-16-11-17-5-6-19(13-18(17)12-16)27-25(32)23(31)24-26(33)29(8-10-35-24)21-4-2-3-20(14-21)28-7-9-34-15-22(28)30;1-11(21)28-16(18(24)25)15-17(23)20(6-8-27-15)13-4-2-3-12(9-13)19-5-7-26-10-14(19)22;1-7-4-8-2-3-10(11)6-9(8)5-7;1-2/h3-7,13-15,25-26H,8-12,16H2,1-2H3,(H,29,34);2-6,12-14,23-24,31H,7-11,15H2,1H3,(H,27,32);2-4,9,15-16H,5-8,10H2,1H3,(H,24,25);2-3,5-6H,4,11H2,1H3;2H,1H3/t25-,26-;23-,24-;15-,16-;;/m111../s1
InChIKeyIATUKYJZYSFXEF-TVWQWLANSA-N
MW1566.68 g/mol
LogP5.69
Rot. Bonds16

About (2R)-2-acetyloxy-2-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]acetic acid;(2R)-2-hydroxy-N-(2-methyl-1H-inden-5-yl)-2-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]acetamide;methanol;2-methyl-1H-inden-5-amine;[(1R)-2-[(2-methyl-1H-inden-5-yl)amino]-2-oxo-1-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]ethyl] acetate

(2R)-2-acetyloxy-2-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]acetic acid;(2R)-2-hydroxy-N-(2-methyl-1H-inden-5-yl)-2-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]acetamide;methanol;2-methyl-1H-inden-5-amine;[(1R)-2-[(2-methyl-1H-inden-5-yl)amino]-2-oxo-1-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]ethyl] acetate (PubChem CID 158644312) has the molecular formula C83H91N9O22 and a molecular weight of 1566.68 g/mol. Its IUPAC name is (2R)-2-acetyloxy-2-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]acetic acid;(2R)-2-hydroxy-N-(2-methyl-1H-inden-5-yl)-2-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]acetamide;methanol;2-methyl-1H-inden-5-amine;[(1R)-2-[(2-methyl-1H-inden-5-yl)amino]-2-oxo-1-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]ethyl] acetate.

Molecular Properties

Compound Name(2R)-2-acetyloxy-2-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]acetic acid;(2R)-2-hydroxy-N-(2-methyl-1H-inden-5-yl)-2-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]acetamide;methanol;2-methyl-1H-inden-5-amine;[(1R)-2-[(2-methyl-1H-inden-5-yl)amino]-2-oxo-1-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]ethyl] acetate
PubChem CID158644312
Molecular FormulaC83H91N9O22
Molecular Weight1566.68 g/mol
Exact Mass1565.63
IUPAC Name(2R)-2-acetyloxy-2-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]acetic acid;(2R)-2-hydroxy-N-(2-methyl-1H-inden-5-yl)-2-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]acetamide;methanol;2-methyl-1H-inden-5-amine;[(1R)-2-[(2-methyl-1H-inden-5-yl)amino]-2-oxo-1-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]ethyl] acetate
SMILESCC(=O)O[C@@H](C(=O)Nc1ccc2c(c1)C=C(C)C2)[C@H]1OCCN(c2cccc(N3CCOCC3=O)c2)C1=O.CC(=O)O[C@@H](C(=O)O)[C@H]1OCCN(c2cccc(N3CCOCC3=O)c2)C1=O.CC1=Cc2cc(N)ccc2C1.CC1=Cc2cc(NC(=O)[C@H](O)[C@H]3OCCN(c4cccc(N5CCOCC5=O)c4)C3=O)ccc2C1.CO
InChIInChI=1S/C28H29N3O7.C26H27N3O6.C18H20N2O8.C10H11N.CH4O/c1-17-12-19-6-7-21(14-20(19)13-17)29-27(34)25(38-18(2)32)26-28(35)31(9-11-37-26)23-5-3-4-22(15-23)30-8-10-36-16-24(30)33;1-16-11-17-5-6-19(13-18(17)12-16)27-25(32)23(31)24-26(33)29(8-10-35-24)21-4-2-3-20(14-21)28-7-9-34-15-22(28)30;1-11(21)28-16(18(24)25)15-17(23)20(6-8-27-15)13-4-2-3-12(9-13)19-5-7-26-10-14(19)22;1-7-4-8-2-3-10(11)6-9(8)5-7;1-2/h3-7,13-15,25-26H,8-12,16H2,1-2H3,(H,29,34);2-6,12-14,23-24,31H,7-11,15H2,1H3,(H,27,32);2-4,9,15-16H,5-8,10H2,1H3,(H,24,25);2-3,5-6H,4,11H2,1H3;2H,1H3/t25-,26-;23-,24-;15-,16-;;/m111../s1
InChIKeyIATUKYJZYSFXEF-TVWQWLANSA-N
XLogP5.69
TPSA391.82 Ų
H-Bond Donors6
H-Bond Acceptors22
Rotatable Bonds16
Heavy Atoms114
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001566.68
LogP ≤ 55.69
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze (2R)-2-acetyloxy-2-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]acetic acid;(2R)-2-hydroxy-N-(2-methyl-1H-inden-5-yl)-2-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]acetamide;methanol;2-methyl-1H-inden-5-amine;[(1R)-2-[(2-methyl-1H-inden-5-yl)amino]-2-oxo-1-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]ethyl] acetate with MolForge

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Launch Full Analysis

Related Compounds

(2R)-2-acetyloxy-2-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]acetic acid;(2R)-N-(1-amino-3H-isoindol-5-yl)-2-hydroxy-2-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]acetamide;[(1R)-2-[3-[[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-4-isocyanoanilino]-2-oxo-1-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]ethyl] acetate;tert-butyl N-[(5-amino-2-isocyanophenyl)methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[[5-[[(2R)-2-hydroxy-2-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]acetyl]amino]-2-isocyanophenyl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;hydrochloride
CID 161313419
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
[2-(4-carbamimidoyl-3-chloroanilino)-2-oxo-1-[3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]ethyl] acetate
CID 76717235
[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)-2-acetyloxy-2-[(2R)-4-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]acetic acid;(2R)-N-[4-(aminomethyl)-3-fluorophenyl]-2-[(2R)-4-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide;4-ethyl-3-fluoroaniline;[(1R)-2-(4-ethyl-3-fluoroanilino)-1-[(2R)-4-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-oxoethyl] acetate;(2R)-N-(4-ethyl-3-fluorophenyl)-2-[(2R)-4-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide;methane;methanol
CID 158103692
tert-butyl 2-hydroxy-2-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]acetate
CID 67222708
(2R)-N-(1-amino-7-fluoro-3H-isoindol-5-yl)-2-hydroxy-2-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]acetamide
CID 58290593
N-(4-aminophenyl)-2-hydroxy-2-[(2R)-4-[3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]acetamide
CID 140633327
(2R)-N-(6-carbamimidoyl-3-pyridinyl)-2-hydroxy-2-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]acetamide
CID 58181506
(2R)-2-acetyloxy-2-[3-oxo-4-[3-(trifluoromethoxy)phenyl]morpholin-2-yl]acetic acid
CID 67221715
2-[3-[(2R)-2-[(1R)-1-acetyloxy-2-oxo-2-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)anilino]ethyl]-3-oxomorpholin-4-yl]phenyl]acetic acid
CID 136625641
2-acetyloxy-2-[3-oxo-4-[4-(pentafluoro-λ6-sulfanyl)phenyl]morpholin-2-yl]acetic acid
CID 76717395

Frequently Asked Questions

What is the IUPAC name of (2R)-2-acetyloxy-2-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]acetic acid;(2R)-2-hydroxy-N-(2-methyl-1H-inden-5-yl)-2-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]acetamide;methanol;2-methyl-1H-inden-5-amine;[(1R)-2-[(2-methyl-1H-inden-5-yl)amino]-2-oxo-1-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]ethyl] acetate?
The IUPAC name of (2R)-2-acetyloxy-2-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]acetic acid;(2R)-2-hydroxy-N-(2-methyl-1H-inden-5-yl)-2-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]acetamide;methanol;2-methyl-1H-inden-5-amine;[(1R)-2-[(2-methyl-1H-inden-5-yl)amino]-2-oxo-1-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]ethyl] acetate (CID 158644312) is (2R)-2-acetyloxy-2-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]acetic acid;(2R)-2-hydroxy-N-(2-methyl-1H-inden-5-yl)-2-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]acetamide;methanol;2-methyl-1H-inden-5-amine;[(1R)-2-[(2-methyl-1H-inden-5-yl)amino]-2-oxo-1-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]ethyl] acetate.
What is the SMILES notation for (2R)-2-acetyloxy-2-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]acetic acid;(2R)-2-hydroxy-N-(2-methyl-1H-inden-5-yl)-2-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]acetamide;methanol;2-methyl-1H-inden-5-amine;[(1R)-2-[(2-methyl-1H-inden-5-yl)amino]-2-oxo-1-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]ethyl] acetate?
The canonical SMILES for (2R)-2-acetyloxy-2-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]acetic acid;(2R)-2-hydroxy-N-(2-methyl-1H-inden-5-yl)-2-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]acetamide;methanol;2-methyl-1H-inden-5-amine;[(1R)-2-[(2-methyl-1H-inden-5-yl)amino]-2-oxo-1-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]ethyl] acetate is CC(=O)O[C@@H](C(=O)Nc1ccc2c(c1)C=C(C)C2)[C@H]1OCCN(c2cccc(N3CCOCC3=O)c2)C1=O.CC(=O)O[C@@H](C(=O)O)[C@H]1OCCN(c2cccc(N3CCOCC3=O)c2)C1=O.CC1=Cc2cc(N)ccc2C1.CC1=Cc2cc(NC(=O)[C@H](O)[C@H]3OCCN(c4cccc(N5CCOCC5=O)c4)C3=O)ccc2C1.CO.
What is the InChIKey of (2R)-2-acetyloxy-2-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]acetic acid;(2R)-2-hydroxy-N-(2-methyl-1H-inden-5-yl)-2-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]acetamide;methanol;2-methyl-1H-inden-5-amine;[(1R)-2-[(2-methyl-1H-inden-5-yl)amino]-2-oxo-1-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]ethyl] acetate?
The InChIKey is IATUKYJZYSFXEF-TVWQWLANSA-N. The full InChI is InChI=1S/C28H29N3O7.C26H27N3O6.C18H20N2O8.C10H11N.CH4O/c1-17-12-19-6-7-21(14-20(19)13-17)29-27(34)25(38-18(2)32)26-28(35)31(9-11-37-26)23-5-3-4-22(15-23)30-8-10-36-16-24(30)33;1-16-11-17-5-6-19(13-18(17)12-16)27-25(32)23(31)24-26(33)29(8-10-35-24)21-4-2-3-20(14-21)28-7-9-34-15-22(28)30;1-11(21)28-16(18(24)25)15-17(23)20(6-8-27-15)13-4-2-3-12(9-13)19-5-7-26-10-14(19)22;1-7-4-8-2-3-10(11)6-9(8)5-7;1-2/h3-7,13-15,25-26H,8-12,16H2,1-2H3,(H,29,34);2-6,12-14,23-24,31H,7-11,15H2,1H3,(H,27,32);2-4,9,15-16H,5-8,10H2,1H3,(H,24,25);2-3,5-6H,4,11H2,1H3;2H,1H3/t25-,26-;23-,24-;15-,16-;;/m111../s1.
What are the key properties of (2R)-2-acetyloxy-2-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]acetic acid;(2R)-2-hydroxy-N-(2-methyl-1H-inden-5-yl)-2-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]acetamide;methanol;2-methyl-1H-inden-5-amine;[(1R)-2-[(2-methyl-1H-inden-5-yl)amino]-2-oxo-1-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]ethyl] acetate?
(2R)-2-acetyloxy-2-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]acetic acid;(2R)-2-hydroxy-N-(2-methyl-1H-inden-5-yl)-2-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]acetamide;methanol;2-methyl-1H-inden-5-amine;[(1R)-2-[(2-methyl-1H-inden-5-yl)amino]-2-oxo-1-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]ethyl] acetate has a molecular weight of 1566.68 g/mol, XLogP of 5.69, 16 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-acetyloxy-2-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]acetic acid;(2R)-2-hydroxy-N-(2-methyl-1H-inden-5-yl)-2-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]acetamide;methanol;2-methyl-1H-inden-5-amine;[(1R)-2-[(2-methyl-1H-inden-5-yl)amino]-2-oxo-1-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]ethyl] acetate is sourced from PubChem (CID 158644312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).