4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)morpholine-2-carboxylic acid

C13H15N3O3 — CID 66411236

IUPAC4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)morpholine-2-carboxylic acid
SMILESO=C(O)C1CN(Cc2c[nH]c3ncccc23)CCO1
InChIInChI=1S/C13H15N3O3/c17-13(18)11-8-16(4-5-19-11)7-9-6-15-12-10(9)2-1-3-14-12/h1-3,6,11H,4-5,7-8H2,(H,14,15)(H,17,18)
InChIKeyMUTLYTRZGUUWLL-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.85
Rot. Bonds3

About 4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)morpholine-2-carboxylic acid

4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)morpholine-2-carboxylic acid (PubChem CID 66411236) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)morpholine-2-carboxylic acid
PubChem CID66411236
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)morpholine-2-carboxylic acid
SMILESO=C(O)C1CN(Cc2c[nH]c3ncccc23)CCO1
InChIInChI=1S/C13H15N3O3/c17-13(18)11-8-16(4-5-19-11)7-9-6-15-12-10(9)2-1-3-14-12/h1-3,6,11H,4-5,7-8H2,(H,14,15)(H,17,18)
InChIKeyMUTLYTRZGUUWLL-UHFFFAOYSA-N
XLogP0.85
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)morpholine-2-carboxylic acid?
The IUPAC name of 4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)morpholine-2-carboxylic acid (CID 66411236) is 4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)morpholine-2-carboxylic acid.
What is the SMILES notation for 4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)morpholine-2-carboxylic acid?
The canonical SMILES for 4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)morpholine-2-carboxylic acid is O=C(O)C1CN(Cc2c[nH]c3ncccc23)CCO1.
What is the InChIKey of 4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)morpholine-2-carboxylic acid?
The InChIKey is MUTLYTRZGUUWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c17-13(18)11-8-16(4-5-19-11)7-9-6-15-12-10(9)2-1-3-14-12/h1-3,6,11H,4-5,7-8H2,(H,14,15)(H,17,18).
What are the key properties of 4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)morpholine-2-carboxylic acid?
4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)morpholine-2-carboxylic acid has a molecular weight of 261.28 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)morpholine-2-carboxylic acid is sourced from PubChem (CID 66411236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).