(2S,4R)-1-acetyl-4-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-b]pyridine-6-carbonyl)oxypyrrolidine-2-carboxylic acid

C19H24N4O6 — CID 59441309

IUPAC(2S,4R)-1-acetyl-4-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-b]pyridine-6-carbonyl)oxypyrrolidine-2-carboxylic acid
SMILESCC(=O)N1C[C@H](OC(=O)N2Cc3ccc(N4CCOCC4)nc3C2)C[C@H]1C(=O)O
InChIInChI=1S/C19H24N4O6/c1-12(24)23-10-14(8-16(23)18(25)26)29-19(27)22-9-13-2-3-17(20-15(13)11-22)21-4-6-28-7-5-21/h2-3,14,16H,4-11H2,1H3,(H,25,26)/t14-,16+/m1/s1
InChIKeyVEAXJSRRSYJRQX-ZBFHGGJFSA-N
MW404.42 g/mol
LogP0.44
Rot. Bonds3

About (2S,4R)-1-acetyl-4-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-b]pyridine-6-carbonyl)oxypyrrolidine-2-carboxylic acid

(2S,4R)-1-acetyl-4-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-b]pyridine-6-carbonyl)oxypyrrolidine-2-carboxylic acid (PubChem CID 59441309) has the molecular formula C19H24N4O6 and a molecular weight of 404.42 g/mol. Its IUPAC name is (2S,4R)-1-acetyl-4-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-b]pyridine-6-carbonyl)oxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4R)-1-acetyl-4-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-b]pyridine-6-carbonyl)oxypyrrolidine-2-carboxylic acid
PubChem CID59441309
Molecular FormulaC19H24N4O6
Molecular Weight404.42 g/mol
Exact Mass404.17
IUPAC Name(2S,4R)-1-acetyl-4-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-b]pyridine-6-carbonyl)oxypyrrolidine-2-carboxylic acid
SMILESCC(=O)N1C[C@H](OC(=O)N2Cc3ccc(N4CCOCC4)nc3C2)C[C@H]1C(=O)O
InChIInChI=1S/C19H24N4O6/c1-12(24)23-10-14(8-16(23)18(25)26)29-19(27)22-9-13-2-3-17(20-15(13)11-22)21-4-6-28-7-5-21/h2-3,14,16H,4-11H2,1H3,(H,25,26)/t14-,16+/m1/s1
InChIKeyVEAXJSRRSYJRQX-ZBFHGGJFSA-N
XLogP0.44
TPSA112.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.42
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2S,4R)-1-acetyl-4-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-b]pyridine-6-carbonyl)oxypyrrolidine-2-carboxylic acid with MolForge

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Related Compounds

(2S,4R)-1-acetyl-4-(4-pyridin-4-ylpiperazine-1-carbonyl)oxypyrrolidine-2-carboxylic acid
CID 59441027
(2S,4R)-1-acetyl-4-[5-[2-(dimethylamino)propan-2-yl]-1,3-dihydroisoindole-2-carbonyl]oxypyrrolidine-2-carboxylic acid
CID 59441240
(2S,4S)-4-(3,4-dihydro-1H-isoquinoline-2-carbonyloxy)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 67276779
(2S,4R)-4-[5-(dimethylamino)-1,3-dihydroisoindole-2-carbonyl]oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 67544601
1-[(2S,4S)-2-(morpholine-4-carbonyl)-4-phenoxypyrrolidin-1-yl]ethanone
CID 110198184
(2S,4R)-1-(3-acetylsulfanyl-2-methylpropanoyl)-4-(morpholine-4-carbonyloxy)pyrrolidine-2-carboxylic acid
CID 22811894
1-[(2R)-2-(2-methyl-6-morpholin-4-yl-3-pyridinyl)pyrrolidin-1-yl]ethanone
CID 124500229
2-methyl-6-morpholin-4-ylpyridine-3-carboxylic acid
CID 67287742
3-methoxycarbonyl-2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylic acid
CID 170309318
(2R,4S)-4-acetyloxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
CID 18391514
(4R)-1-[(2S)-2-(cyclopentyloxycarbonylamino)-3,3-dimethylbutanoyl]-4-(4-fluoro-1,3-dihydroisoindole-2-carbonyl)oxypyrrolidine-2-carboxylic acid
CID 70266559
(2S,4R)-1-[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]-4-[6-(4-methylpiperazin-1-yl)-3,4-dihydro-1H-2,7-naphthyridine-2-carbonyl]oxypyrrolidine-2-carboxylic acid
CID 59440989

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-1-acetyl-4-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-b]pyridine-6-carbonyl)oxypyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4R)-1-acetyl-4-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-b]pyridine-6-carbonyl)oxypyrrolidine-2-carboxylic acid (CID 59441309) is (2S,4R)-1-acetyl-4-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-b]pyridine-6-carbonyl)oxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4R)-1-acetyl-4-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-b]pyridine-6-carbonyl)oxypyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4R)-1-acetyl-4-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-b]pyridine-6-carbonyl)oxypyrrolidine-2-carboxylic acid is CC(=O)N1C[C@H](OC(=O)N2Cc3ccc(N4CCOCC4)nc3C2)C[C@H]1C(=O)O.
What is the InChIKey of (2S,4R)-1-acetyl-4-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-b]pyridine-6-carbonyl)oxypyrrolidine-2-carboxylic acid?
The InChIKey is VEAXJSRRSYJRQX-ZBFHGGJFSA-N. The full InChI is InChI=1S/C19H24N4O6/c1-12(24)23-10-14(8-16(23)18(25)26)29-19(27)22-9-13-2-3-17(20-15(13)11-22)21-4-6-28-7-5-21/h2-3,14,16H,4-11H2,1H3,(H,25,26)/t14-,16+/m1/s1.
What are the key properties of (2S,4R)-1-acetyl-4-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-b]pyridine-6-carbonyl)oxypyrrolidine-2-carboxylic acid?
(2S,4R)-1-acetyl-4-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-b]pyridine-6-carbonyl)oxypyrrolidine-2-carboxylic acid has a molecular weight of 404.42 g/mol, XLogP of 0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-1-acetyl-4-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-b]pyridine-6-carbonyl)oxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 59441309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).