(2R)-N-(1-amino-2H-isoindol-5-yl)-2-hydroxy-2-[(2R)-4-[2-(3-hydroxy-3-methylbutoxy)phenyl]-3-oxomorpholin-2-yl]acetamide

C25H30N4O6 — CID 123292220

IUPAC(2R)-N-(1-amino-2H-isoindol-5-yl)-2-hydroxy-2-[(2R)-4-[2-(3-hydroxy-3-methylbutoxy)phenyl]-3-oxomorpholin-2-yl]acetamide
SMILESCC(C)(O)CCOc1ccccc1N1CCO[C@H]([C@@H](O)C(=O)Nc2ccc3c(N)[nH]cc3c2)C1=O
InChIInChI=1S/C25H30N4O6/c1-25(2,33)9-11-34-19-6-4-3-5-18(19)29-10-12-35-21(24(29)32)20(30)23(31)28-16-7-8-17-15(13-16)14-27-22(17)26/h3-8,13-14,20-21,27,30,33H,9-12,26H2,1-2H3,(H,28,31)/t20-,21-/m1/s1
InChIKeyOAAPCBRXSLDIGE-NHCUHLMSSA-N
MW482.54 g/mol
LogP2.02
Rot. Bonds8

About (2R)-N-(1-amino-2H-isoindol-5-yl)-2-hydroxy-2-[(2R)-4-[2-(3-hydroxy-3-methylbutoxy)phenyl]-3-oxomorpholin-2-yl]acetamide

(2R)-N-(1-amino-2H-isoindol-5-yl)-2-hydroxy-2-[(2R)-4-[2-(3-hydroxy-3-methylbutoxy)phenyl]-3-oxomorpholin-2-yl]acetamide (PubChem CID 123292220) has the molecular formula C25H30N4O6 and a molecular weight of 482.54 g/mol. Its IUPAC name is (2R)-N-(1-amino-2H-isoindol-5-yl)-2-hydroxy-2-[(2R)-4-[2-(3-hydroxy-3-methylbutoxy)phenyl]-3-oxomorpholin-2-yl]acetamide.

Molecular Properties

Compound Name(2R)-N-(1-amino-2H-isoindol-5-yl)-2-hydroxy-2-[(2R)-4-[2-(3-hydroxy-3-methylbutoxy)phenyl]-3-oxomorpholin-2-yl]acetamide
PubChem CID123292220
Molecular FormulaC25H30N4O6
Molecular Weight482.54 g/mol
Exact Mass482.22
IUPAC Name(2R)-N-(1-amino-2H-isoindol-5-yl)-2-hydroxy-2-[(2R)-4-[2-(3-hydroxy-3-methylbutoxy)phenyl]-3-oxomorpholin-2-yl]acetamide
SMILESCC(C)(O)CCOc1ccccc1N1CCO[C@H]([C@@H](O)C(=O)Nc2ccc3c(N)[nH]cc3c2)C1=O
InChIInChI=1S/C25H30N4O6/c1-25(2,33)9-11-34-19-6-4-3-5-18(19)29-10-12-35-21(24(29)32)20(30)23(31)28-16-7-8-17-15(13-16)14-27-22(17)26/h3-8,13-14,20-21,27,30,33H,9-12,26H2,1-2H3,(H,28,31)/t20-,21-/m1/s1
InChIKeyOAAPCBRXSLDIGE-NHCUHLMSSA-N
XLogP2.02
TPSA150.14 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.54
LogP ≤ 52.02
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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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-[(2R)-4-(3-fluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide
CID 123859129
(2R)-N-[3-(aminomethyl)-4-cyanophenyl]-2-hydroxy-2-[(2R)-4-[2-(3-methoxy-3-methylbutoxy)phenyl]-3-oxomorpholin-2-yl]acetamide;hydrochloride
CID 67032874
(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
(3R)-4-[3-[[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-4-cyanoanilino]-3-[(2R)-4-[2-(3-hydroxy-3-methylbutoxy)phenyl]-3-oxomorpholin-2-yl]-4-oxobutanoic acid
CID 67223193
N-(4-carbamimidoylphenyl)-2-hydroxy-2-[(2R)-3-oxo-4-(2-propan-2-yloxyphenyl)morpholin-2-yl]acetamide
CID 140562856
(2R)-N-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-[2-(difluoromethoxy)phenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide
CID 50995758
(2R)-2-acetyloxy-2-[(2R)-4-[2-(3-hydroxy-3-methylbutoxy)phenyl]-3-oxomorpholin-2-yl]-3,3-dimethylbutanoic acid
CID 67222238
(2R)-2-(3,3-dimethylbutanoyloxy)-2-[(2R)-4-[2-(3-methoxy-3-methylbutoxy)phenyl]-3-oxomorpholin-2-yl]acetic acid
CID 67032905
(2R)-N-(1-aminoisoquinolin-6-yl)-2-hydroxy-2-[(2R)-3-oxo-4-(4-propan-2-ylphenyl)morpholin-2-yl]acetamide
CID 118501226
N-(1-aminoisoquinolin-6-yl)-2-hydroxy-2-[3-oxo-4-[4-(trifluoromethyl)phenyl]morpholin-2-yl]acetamide
CID 75153689

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(1-amino-2H-isoindol-5-yl)-2-hydroxy-2-[(2R)-4-[2-(3-hydroxy-3-methylbutoxy)phenyl]-3-oxomorpholin-2-yl]acetamide?
The IUPAC name of (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) is (2R)-N-(1-amino-2H-isoindol-5-yl)-2-hydroxy-2-[(2R)-4-[2-(3-hydroxy-3-methylbutoxy)phenyl]-3-oxomorpholin-2-yl]acetamide.
What is the SMILES notation for (2R)-N-(1-amino-2H-isoindol-5-yl)-2-hydroxy-2-[(2R)-4-[2-(3-hydroxy-3-methylbutoxy)phenyl]-3-oxomorpholin-2-yl]acetamide?
The canonical SMILES for (2R)-N-(1-amino-2H-isoindol-5-yl)-2-hydroxy-2-[(2R)-4-[2-(3-hydroxy-3-methylbutoxy)phenyl]-3-oxomorpholin-2-yl]acetamide is CC(C)(O)CCOc1ccccc1N1CCO[C@H]([C@@H](O)C(=O)Nc2ccc3c(N)[nH]cc3c2)C1=O.
What is the InChIKey of (2R)-N-(1-amino-2H-isoindol-5-yl)-2-hydroxy-2-[(2R)-4-[2-(3-hydroxy-3-methylbutoxy)phenyl]-3-oxomorpholin-2-yl]acetamide?
The InChIKey is OAAPCBRXSLDIGE-NHCUHLMSSA-N. The full InChI is InChI=1S/C25H30N4O6/c1-25(2,33)9-11-34-19-6-4-3-5-18(19)29-10-12-35-21(24(29)32)20(30)23(31)28-16-7-8-17-15(13-16)14-27-22(17)26/h3-8,13-14,20-21,27,30,33H,9-12,26H2,1-2H3,(H,28,31)/t20-,21-/m1/s1.
What are the key properties of (2R)-N-(1-amino-2H-isoindol-5-yl)-2-hydroxy-2-[(2R)-4-[2-(3-hydroxy-3-methylbutoxy)phenyl]-3-oxomorpholin-2-yl]acetamide?
(2R)-N-(1-amino-2H-isoindol-5-yl)-2-hydroxy-2-[(2R)-4-[2-(3-hydroxy-3-methylbutoxy)phenyl]-3-oxomorpholin-2-yl]acetamide has a molecular weight of 482.54 g/mol, XLogP of 2.02, 8 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(1-amino-2H-isoindol-5-yl)-2-hydroxy-2-[(2R)-4-[2-(3-hydroxy-3-methylbutoxy)phenyl]-3-oxomorpholin-2-yl]acetamide is sourced from PubChem (CID 123292220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).