3-methoxycarbonyl-2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylic acid

C14H17N3O5 — CID 170309318

IUPAC3-methoxycarbonyl-2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylic acid
SMILESCOC(=O)c1cc2c(nc1N1CCOCC1)CN(C(=O)O)C2
InChIInChI=1S/C14H17N3O5/c1-21-13(18)10-6-9-7-17(14(19)20)8-11(9)15-12(10)16-2-4-22-5-3-16/h6H,2-5,7-8H2,1H3,(H,19,20)
InChIKeyIWXFZAFTNIKIQZ-UHFFFAOYSA-N
MW307.31 g/mol
LogP0.70
Rot. Bonds2

About 3-methoxycarbonyl-2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylic acid

3-methoxycarbonyl-2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylic acid (PubChem CID 170309318) has the molecular formula C14H17N3O5 and a molecular weight of 307.31 g/mol. Its IUPAC name is 3-methoxycarbonyl-2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name3-methoxycarbonyl-2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylic acid
PubChem CID170309318
Molecular FormulaC14H17N3O5
Molecular Weight307.31 g/mol
Exact Mass307.12
IUPAC Name3-methoxycarbonyl-2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylic acid
SMILESCOC(=O)c1cc2c(nc1N1CCOCC1)CN(C(=O)O)C2
InChIInChI=1S/C14H17N3O5/c1-21-13(18)10-6-9-7-17(14(19)20)8-11(9)15-12(10)16-2-4-22-5-3-16/h6H,2-5,7-8H2,1H3,(H,19,20)
InChIKeyIWXFZAFTNIKIQZ-UHFFFAOYSA-N
XLogP0.70
TPSA92.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-methoxycarbonyl-2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylic acid with MolForge

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Related Compounds

ethane;methyl 5-methyl-2-morpholin-4-yl-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylate
CID 169247717
4-[6-(aminomethyl)-5-chloro-3-methoxycarbonyl-2-pyridinyl]piperazine-1-carboxylic acid
CID 129098059
methyl 4-morpholin-4-ylpyrimidine-2-carboxylate
CID 150936080
(5R)-5-methyl-2-morpholin-4-yl-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylic acid
CID 169247721
7,7-dimethyl-2-morpholin-4-yl-5,8-dihydropyrano[4,3-b]pyridine-3-carboxamide
CID 1400490
methyl 2-methyl-4-morpholin-4-ylbenzoate
CID 90024135
methyl 7-(methoxymethyl)-6-morpholin-4-yl-1,5-naphthyridine-4-carboxylate
CID 166801121
methyl 2-morpholin-4-yl-5-sulfanylbenzoate
CID 71105835
4-(6,7-dimethoxy-2-morpholin-4-ylquinazolin-4-yl)piperazine-1-carboxylic acid
CID 22707461
methyl 3-bromo-6-(2-methoxy-2-oxoethyl)-1-morpholin-4-ylpyrrolo[1,2-a]pyrazine-7-carboxylate
CID 89398374
methyl 4-methyl-1-morpholin-4-ylisoquinoline-3-carboxylate
CID 3021583
methyl 3-chloro-6-morpholin-4-ylpyridine-2-carboxylate
CID 134159276

Frequently Asked Questions

What is the IUPAC name of 3-methoxycarbonyl-2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylic acid?
The IUPAC name of 3-methoxycarbonyl-2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylic acid (CID 170309318) is 3-methoxycarbonyl-2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylic acid.
What is the SMILES notation for 3-methoxycarbonyl-2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylic acid?
The canonical SMILES for 3-methoxycarbonyl-2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylic acid is COC(=O)c1cc2c(nc1N1CCOCC1)CN(C(=O)O)C2.
What is the InChIKey of 3-methoxycarbonyl-2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylic acid?
The InChIKey is IWXFZAFTNIKIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O5/c1-21-13(18)10-6-9-7-17(14(19)20)8-11(9)15-12(10)16-2-4-22-5-3-16/h6H,2-5,7-8H2,1H3,(H,19,20).
What are the key properties of 3-methoxycarbonyl-2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylic acid?
3-methoxycarbonyl-2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylic acid has a molecular weight of 307.31 g/mol, XLogP of 0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxycarbonyl-2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 170309318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).