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

C10H11N3O2 — CID 83832708

IUPAC2-[(1-methylpyrrolo[2,3-b]pyridin-4-yl)amino]acetic acid
SMILESCn1ccc2c(NCC(=O)O)ccnc21
InChIInChI=1S/C10H11N3O2/c1-13-5-3-7-8(12-6-9(14)15)2-4-11-10(7)13/h2-5H,6H2,1H3,(H,11,12)(H,14,15)
InChIKeyTTXIUBXQHKTJKR-UHFFFAOYSA-N
MW205.22 g/mol
LogP1.07
Rot. Bonds3

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

2-[(1-methylpyrrolo[2,3-b]pyridin-4-yl)amino]acetic acid (PubChem CID 83832708) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is 2-[(1-methylpyrrolo[2,3-b]pyridin-4-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[(1-methylpyrrolo[2,3-b]pyridin-4-yl)amino]acetic acid
PubChem CID83832708
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name2-[(1-methylpyrrolo[2,3-b]pyridin-4-yl)amino]acetic acid
SMILESCn1ccc2c(NCC(=O)O)ccnc21
InChIInChI=1S/C10H11N3O2/c1-13-5-3-7-8(12-6-9(14)15)2-4-11-10(7)13/h2-5H,6H2,1H3,(H,11,12)(H,14,15)
InChIKeyTTXIUBXQHKTJKR-UHFFFAOYSA-N
XLogP1.07
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylpyrrolo[2,3-b]pyridin-4-yl)amino]acetic acid?
The IUPAC name of 2-[(1-methylpyrrolo[2,3-b]pyridin-4-yl)amino]acetic acid (CID 83832708) is 2-[(1-methylpyrrolo[2,3-b]pyridin-4-yl)amino]acetic acid.
What is the SMILES notation for 2-[(1-methylpyrrolo[2,3-b]pyridin-4-yl)amino]acetic acid?
The canonical SMILES for 2-[(1-methylpyrrolo[2,3-b]pyridin-4-yl)amino]acetic acid is Cn1ccc2c(NCC(=O)O)ccnc21.
What is the InChIKey of 2-[(1-methylpyrrolo[2,3-b]pyridin-4-yl)amino]acetic acid?
The InChIKey is TTXIUBXQHKTJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-13-5-3-7-8(12-6-9(14)15)2-4-11-10(7)13/h2-5H,6H2,1H3,(H,11,12)(H,14,15).
What are the key properties of 2-[(1-methylpyrrolo[2,3-b]pyridin-4-yl)amino]acetic acid?
2-[(1-methylpyrrolo[2,3-b]pyridin-4-yl)amino]acetic acid has a molecular weight of 205.22 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylpyrrolo[2,3-b]pyridin-4-yl)amino]acetic acid is sourced from PubChem (CID 83832708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).