2-[methyl-(1-methylpyrrolo[2,3-c]pyridin-7-yl)amino]acetic acid

C11H13N3O2 — CID 83836902

IUPAC2-[methyl-(1-methylpyrrolo[2,3-c]pyridin-7-yl)amino]acetic acid
SMILESCN(CC(=O)O)c1nccc2ccn(C)c12
InChIInChI=1S/C11H13N3O2/c1-13-6-4-8-3-5-12-11(10(8)13)14(2)7-9(15)16/h3-6H,7H2,1-2H3,(H,15,16)
InChIKeyPNOKJWGJDYAXGN-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.09
Rot. Bonds3

About 2-[methyl-(1-methylpyrrolo[2,3-c]pyridin-7-yl)amino]acetic acid

2-[methyl-(1-methylpyrrolo[2,3-c]pyridin-7-yl)amino]acetic acid (PubChem CID 83836902) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 2-[methyl-(1-methylpyrrolo[2,3-c]pyridin-7-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-(1-methylpyrrolo[2,3-c]pyridin-7-yl)amino]acetic acid
PubChem CID83836902
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name2-[methyl-(1-methylpyrrolo[2,3-c]pyridin-7-yl)amino]acetic acid
SMILESCN(CC(=O)O)c1nccc2ccn(C)c12
InChIInChI=1S/C11H13N3O2/c1-13-6-4-8-3-5-12-11(10(8)13)14(2)7-9(15)16/h3-6H,7H2,1-2H3,(H,15,16)
InChIKeyPNOKJWGJDYAXGN-UHFFFAOYSA-N
XLogP1.09
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(1-methylpyrrolo[2,3-c]pyridin-7-yl)amino]acetic acid?
The IUPAC name of 2-[methyl-(1-methylpyrrolo[2,3-c]pyridin-7-yl)amino]acetic acid (CID 83836902) is 2-[methyl-(1-methylpyrrolo[2,3-c]pyridin-7-yl)amino]acetic acid.
What is the SMILES notation for 2-[methyl-(1-methylpyrrolo[2,3-c]pyridin-7-yl)amino]acetic acid?
The canonical SMILES for 2-[methyl-(1-methylpyrrolo[2,3-c]pyridin-7-yl)amino]acetic acid is CN(CC(=O)O)c1nccc2ccn(C)c12.
What is the InChIKey of 2-[methyl-(1-methylpyrrolo[2,3-c]pyridin-7-yl)amino]acetic acid?
The InChIKey is PNOKJWGJDYAXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-13-6-4-8-3-5-12-11(10(8)13)14(2)7-9(15)16/h3-6H,7H2,1-2H3,(H,15,16).
What are the key properties of 2-[methyl-(1-methylpyrrolo[2,3-c]pyridin-7-yl)amino]acetic acid?
2-[methyl-(1-methylpyrrolo[2,3-c]pyridin-7-yl)amino]acetic acid has a molecular weight of 219.24 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(1-methylpyrrolo[2,3-c]pyridin-7-yl)amino]acetic acid is sourced from PubChem (CID 83836902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).