2-(4-amino-5-methoxycarbonylpyrrolo[2,3-b]pyridin-1-yl)acetic acid

C11H11N3O4 — CID 166517849

IUPAC2-(4-amino-5-methoxycarbonylpyrrolo[2,3-b]pyridin-1-yl)acetic acid
SMILESCOC(=O)c1cnc2c(ccn2CC(=O)O)c1N
InChIInChI=1S/C11H11N3O4/c1-18-11(17)7-4-13-10-6(9(7)12)2-3-14(10)5-8(15)16/h2-4H,5H2,1H3,(H2,12,13)(H,15,16)
InChIKeyLEMATPWICRPISI-UHFFFAOYSA-N
MW249.23 g/mol
LogP0.49
Rot. Bonds3

About 2-(4-amino-5-methoxycarbonylpyrrolo[2,3-b]pyridin-1-yl)acetic acid

2-(4-amino-5-methoxycarbonylpyrrolo[2,3-b]pyridin-1-yl)acetic acid (PubChem CID 166517849) has the molecular formula C11H11N3O4 and a molecular weight of 249.23 g/mol. Its IUPAC name is 2-(4-amino-5-methoxycarbonylpyrrolo[2,3-b]pyridin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(4-amino-5-methoxycarbonylpyrrolo[2,3-b]pyridin-1-yl)acetic acid
PubChem CID166517849
Molecular FormulaC11H11N3O4
Molecular Weight249.23 g/mol
Exact Mass249.07
IUPAC Name2-(4-amino-5-methoxycarbonylpyrrolo[2,3-b]pyridin-1-yl)acetic acid
SMILESCOC(=O)c1cnc2c(ccn2CC(=O)O)c1N
InChIInChI=1S/C11H11N3O4/c1-18-11(17)7-4-13-10-6(9(7)12)2-3-14(10)5-8(15)16/h2-4H,5H2,1H3,(H2,12,13)(H,15,16)
InChIKeyLEMATPWICRPISI-UHFFFAOYSA-N
XLogP0.49
TPSA107.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-amino-6-phenylquinoline-3-carboxylate
CID 102614814
methyl 4-amino-8-ethoxyquinoline-3-carboxylate
CID 102614789
2-(3-methoxycarbonylindol-1-yl)acetic acid
CID 4962452
2-(4-amino-2-chloropyrrolo[2,3-d]pyrimidin-7-yl)acetic acid
CID 156876954
methyl 4-amino-8-propoxyquinoline-3-carboxylate
CID 102614773
2-(5-ethoxycarbonyl-10-oxo-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-11-yl)acetic acid
CID 3073305
2-(5-methoxycarbonyl-2-oxopyrimidin-1-yl)acetic acid
CID 83835191
methyl 3-(aminomethyl)imidazo[1,2-a]pyridine-8-carboxylate
CID 117256872
methyl 4-amino-7-chloro-6-methylquinoline-3-carboxylate
CID 102614920
methyl 4-amino-8-bromo-6-fluoroquinoline-3-carboxylate
CID 102614854
methyl 4-amino-6-fluoro-8-methoxyquinoline-3-carboxylate
CID 102614869
methyl 1-aminonaphthalene-2-carboxylate
CID 18006268

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-5-methoxycarbonylpyrrolo[2,3-b]pyridin-1-yl)acetic acid?
The IUPAC name of 2-(4-amino-5-methoxycarbonylpyrrolo[2,3-b]pyridin-1-yl)acetic acid (CID 166517849) is 2-(4-amino-5-methoxycarbonylpyrrolo[2,3-b]pyridin-1-yl)acetic acid.
What is the SMILES notation for 2-(4-amino-5-methoxycarbonylpyrrolo[2,3-b]pyridin-1-yl)acetic acid?
The canonical SMILES for 2-(4-amino-5-methoxycarbonylpyrrolo[2,3-b]pyridin-1-yl)acetic acid is COC(=O)c1cnc2c(ccn2CC(=O)O)c1N.
What is the InChIKey of 2-(4-amino-5-methoxycarbonylpyrrolo[2,3-b]pyridin-1-yl)acetic acid?
The InChIKey is LEMATPWICRPISI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O4/c1-18-11(17)7-4-13-10-6(9(7)12)2-3-14(10)5-8(15)16/h2-4H,5H2,1H3,(H2,12,13)(H,15,16).
What are the key properties of 2-(4-amino-5-methoxycarbonylpyrrolo[2,3-b]pyridin-1-yl)acetic acid?
2-(4-amino-5-methoxycarbonylpyrrolo[2,3-b]pyridin-1-yl)acetic acid has a molecular weight of 249.23 g/mol, XLogP of 0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-5-methoxycarbonylpyrrolo[2,3-b]pyridin-1-yl)acetic acid is sourced from PubChem (CID 166517849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).