2-[(4-hydroxy-1,2,3-trimethylpyrrolo[2,3-c]pyridine-5-carbonyl)amino]acetic acid

C13H15N3O4 — CID 24756722

IUPAC2-[(4-hydroxy-1,2,3-trimethylpyrrolo[2,3-c]pyridine-5-carbonyl)amino]acetic acid
SMILESCc1c(C)n(C)c2cnc(C(=O)NCC(=O)O)c(O)c12
InChIInChI=1S/C13H15N3O4/c1-6-7(2)16(3)8-4-14-11(12(19)10(6)8)13(20)15-5-9(17)18/h4,19H,5H2,1-3H3,(H,15,20)(H,17,18)
InChIKeyPLMYZXCTUJRVCW-UHFFFAOYSA-N
MW277.28 g/mol
LogP0.71
Rot. Bonds3

About 2-[(4-hydroxy-1,2,3-trimethylpyrrolo[2,3-c]pyridine-5-carbonyl)amino]acetic acid

2-[(4-hydroxy-1,2,3-trimethylpyrrolo[2,3-c]pyridine-5-carbonyl)amino]acetic acid (PubChem CID 24756722) has the molecular formula C13H15N3O4 and a molecular weight of 277.28 g/mol. Its IUPAC name is 2-[(4-hydroxy-1,2,3-trimethylpyrrolo[2,3-c]pyridine-5-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(4-hydroxy-1,2,3-trimethylpyrrolo[2,3-c]pyridine-5-carbonyl)amino]acetic acid
PubChem CID24756722
Molecular FormulaC13H15N3O4
Molecular Weight277.28 g/mol
Exact Mass277.11
IUPAC Name2-[(4-hydroxy-1,2,3-trimethylpyrrolo[2,3-c]pyridine-5-carbonyl)amino]acetic acid
SMILESCc1c(C)n(C)c2cnc(C(=O)NCC(=O)O)c(O)c12
InChIInChI=1S/C13H15N3O4/c1-6-7(2)16(3)8-4-14-11(12(19)10(6)8)13(20)15-5-9(17)18/h4,19H,5H2,1-3H3,(H,15,20)(H,17,18)
InChIKeyPLMYZXCTUJRVCW-UHFFFAOYSA-N
XLogP0.71
TPSA104.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxy-1,2,3-trimethylpyrrolo[2,3-c]pyridine-5-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(4-hydroxy-1,2,3-trimethylpyrrolo[2,3-c]pyridine-5-carbonyl)amino]acetic acid (CID 24756722) is 2-[(4-hydroxy-1,2,3-trimethylpyrrolo[2,3-c]pyridine-5-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(4-hydroxy-1,2,3-trimethylpyrrolo[2,3-c]pyridine-5-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(4-hydroxy-1,2,3-trimethylpyrrolo[2,3-c]pyridine-5-carbonyl)amino]acetic acid is Cc1c(C)n(C)c2cnc(C(=O)NCC(=O)O)c(O)c12.
What is the InChIKey of 2-[(4-hydroxy-1,2,3-trimethylpyrrolo[2,3-c]pyridine-5-carbonyl)amino]acetic acid?
The InChIKey is PLMYZXCTUJRVCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4/c1-6-7(2)16(3)8-4-14-11(12(19)10(6)8)13(20)15-5-9(17)18/h4,19H,5H2,1-3H3,(H,15,20)(H,17,18).
What are the key properties of 2-[(4-hydroxy-1,2,3-trimethylpyrrolo[2,3-c]pyridine-5-carbonyl)amino]acetic acid?
2-[(4-hydroxy-1,2,3-trimethylpyrrolo[2,3-c]pyridine-5-carbonyl)amino]acetic acid has a molecular weight of 277.28 g/mol, XLogP of 0.71, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxy-1,2,3-trimethylpyrrolo[2,3-c]pyridine-5-carbonyl)amino]acetic acid is sourced from PubChem (CID 24756722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).