(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

C26H29N5O6 — CID 123243136

IUPAC(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
SMILESCO[C@@H]1CCN(C(=O)c2cccc(N3CCO[C@H]([C@@H](O)C(=O)Nc4ccc5c(N)[nH]cc5c4)C3=O)c2)C1
InChIInChI=1S/C26H29N5O6/c1-36-19-7-8-30(14-19)25(34)15-3-2-4-18(12-15)31-9-10-37-22(26(31)35)21(32)24(33)29-17-5-6-20-16(11-17)13-28-23(20)27/h2-6,11-13,19,21-22,28,32H,7-10,14,27H2,1H3,(H,29,33)/t19-,21-,22-/m1/s1
InChIKeyIVOBCVPHTYMDRK-CEMLEFRQSA-N
MW507.55 g/mol
LogP1.34
Rot. Bonds6

About (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

(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 (PubChem CID 123243136) has the molecular formula C26H29N5O6 and a molecular weight of 507.55 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID123243136
Molecular FormulaC26H29N5O6
Molecular Weight507.55 g/mol
Exact Mass507.21
IUPAC Name(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
SMILESCO[C@@H]1CCN(C(=O)c2cccc(N3CCO[C@H]([C@@H](O)C(=O)Nc4ccc5c(N)[nH]cc5c4)C3=O)c2)C1
InChIInChI=1S/C26H29N5O6/c1-36-19-7-8-30(14-19)25(34)15-3-2-4-18(12-15)31-9-10-37-22(26(31)35)21(32)24(33)29-17-5-6-20-16(11-17)13-28-23(20)27/h2-6,11-13,19,21-22,28,32H,7-10,14,27H2,1H3,(H,29,33)/t19-,21-,22-/m1/s1
InChIKeyIVOBCVPHTYMDRK-CEMLEFRQSA-N
XLogP1.34
TPSA150.22 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.55
LogP ≤ 51.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

(2R)-N-(1-amino-3H-isoindol-5-yl)-2-hydroxy-2-[(2R)-4-[3-[(3S)-3-methoxypyrrolidine-1-carbonyl]phenyl]-3-oxomorpholin-2-yl]acetamide
CID 50997176
(2R)-N-(1-amino-2H-isoindol-5-yl)-2-[(2R)-4-(3-fluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide
CID 123859129
tert-butyl (2R)-2-hydroxy-2-[(2R)-4-[3-[(3S)-3-methoxypyrrolidine-1-carbonyl]phenyl]-3-oxomorpholin-2-yl]acetate
CID 58290546
(2R)-N-(1-amino-2H-isoindol-5-yl)-2-[(2R)-4-(4-tert-butylphenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide
CID 123574337
N-(4-aminophenyl)-2-hydroxy-2-[(2R)-4-[3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]acetamide
CID 140633327
(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-[2-(3-hydroxy-3-methylbutoxy)phenyl]-3-oxomorpholin-2-yl]acetamide
CID 123292220
benzyl 1-[3-[(2R)-2-[(1R)-2-[(1-amino-3H-isoindol-5-yl)amino]-1-hydroxy-2-oxoethyl]-3-oxomorpholin-4-yl]benzoyl]piperidine-4-carboxylate
CID 58290523
ethyl (2S)-1-[3-[(2R)-2-[(1R)-2-[(1-amino-3H-isoindol-5-yl)amino]-1-hydroxy-2-oxoethyl]-3-oxomorpholin-4-yl]benzoyl]pyrrolidine-2-carboxylate;methyl (2S)-1-[3-[(2R)-2-[(1R)-2-[(1-amino-3H-isoindol-5-yl)amino]-1-hydroxy-2-oxoethyl]-3-oxomorpholin-4-yl]benzoyl]pyrrolidine-2-carboxylate
CID 158495887
(2R)-N-(1-aminoisoquinolin-6-yl)-2-[(2R)-4-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide
CID 58290684
methyl 2-[[3-[(2R)-2-[(1R)-2-[4-[(aminooxycarbonylamino)methyl]anilino]-1-hydroxy-2-oxoethyl]-3-oxomorpholin-4-yl]benzoyl]-methylamino]acetate
CID 118501201
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

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CO[C@@H]1CCN(C(=O)c2cccc(N3CCO[C@H]([C@@H](O)C(=O)Nc4ccc5c(N)[nH]cc5c4)C3=O)c2)C1.
What is the InChIKey of (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?
The InChIKey is IVOBCVPHTYMDRK-CEMLEFRQSA-N. The full InChI is InChI=1S/C26H29N5O6/c1-36-19-7-8-30(14-19)25(34)15-3-2-4-18(12-15)31-9-10-37-22(26(31)35)21(32)24(33)29-17-5-6-20-16(11-17)13-28-23(20)27/h2-6,11-13,19,21-22,28,32H,7-10,14,27H2,1H3,(H,29,33)/t19-,21-,22-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 507.55 g/mol, XLogP of 1.34, 6 rotatable bonds, 4 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-[3-[(3R)-3-methoxypyrrolidine-1-carbonyl]phenyl]-3-oxomorpholin-2-yl]acetamide is sourced from PubChem (CID 123243136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).