ethyl 3-amino-1-methylpyrrolo[3,2-c]pyridine-2-carboxylate

C11H13N3O2 — CID 59596525

IUPACethyl 3-amino-1-methylpyrrolo[3,2-c]pyridine-2-carboxylate
SMILESCCOC(=O)c1c(N)c2cnccc2n1C
InChIInChI=1S/C11H13N3O2/c1-3-16-11(15)10-9(12)7-6-13-5-4-8(7)14(10)2/h4-6H,3,12H2,1-2H3
InChIKeyMYTSBPSETKCJIW-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.33
Rot. Bonds2

About ethyl 3-amino-1-methylpyrrolo[3,2-c]pyridine-2-carboxylate

ethyl 3-amino-1-methylpyrrolo[3,2-c]pyridine-2-carboxylate (PubChem CID 59596525) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is ethyl 3-amino-1-methylpyrrolo[3,2-c]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-1-methylpyrrolo[3,2-c]pyridine-2-carboxylate
PubChem CID59596525
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Nameethyl 3-amino-1-methylpyrrolo[3,2-c]pyridine-2-carboxylate
SMILESCCOC(=O)c1c(N)c2cnccc2n1C
InChIInChI=1S/C11H13N3O2/c1-3-16-11(15)10-9(12)7-6-13-5-4-8(7)14(10)2/h4-6H,3,12H2,1-2H3
InChIKeyMYTSBPSETKCJIW-UHFFFAOYSA-N
XLogP1.33
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-1-methylpyrrolo[3,2-c]pyridine-2-carboxylate?
The IUPAC name of ethyl 3-amino-1-methylpyrrolo[3,2-c]pyridine-2-carboxylate (CID 59596525) is ethyl 3-amino-1-methylpyrrolo[3,2-c]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 3-amino-1-methylpyrrolo[3,2-c]pyridine-2-carboxylate?
The canonical SMILES for ethyl 3-amino-1-methylpyrrolo[3,2-c]pyridine-2-carboxylate is CCOC(=O)c1c(N)c2cnccc2n1C.
What is the InChIKey of ethyl 3-amino-1-methylpyrrolo[3,2-c]pyridine-2-carboxylate?
The InChIKey is MYTSBPSETKCJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-3-16-11(15)10-9(12)7-6-13-5-4-8(7)14(10)2/h4-6H,3,12H2,1-2H3.
What are the key properties of ethyl 3-amino-1-methylpyrrolo[3,2-c]pyridine-2-carboxylate?
ethyl 3-amino-1-methylpyrrolo[3,2-c]pyridine-2-carboxylate has a molecular weight of 219.24 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-1-methylpyrrolo[3,2-c]pyridine-2-carboxylate is sourced from PubChem (CID 59596525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).