methyl 2-[(1-ethylpyrrolo[2,3-b]pyridin-4-yl)amino]acetate

C12H15N3O2 — CID 135062128

IUPACmethyl 2-[(1-ethylpyrrolo[2,3-b]pyridin-4-yl)amino]acetate
SMILESCCn1ccc2c(NCC(=O)OC)ccnc21
InChIInChI=1S/C12H15N3O2/c1-3-15-7-5-9-10(4-6-13-12(9)15)14-8-11(16)17-2/h4-7H,3,8H2,1-2H3,(H,13,14)
InChIKeyVKAYDDBQPZMRLB-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.64
Rot. Bonds4

About methyl 2-[(1-ethylpyrrolo[2,3-b]pyridin-4-yl)amino]acetate

methyl 2-[(1-ethylpyrrolo[2,3-b]pyridin-4-yl)amino]acetate (PubChem CID 135062128) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is methyl 2-[(1-ethylpyrrolo[2,3-b]pyridin-4-yl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(1-ethylpyrrolo[2,3-b]pyridin-4-yl)amino]acetate
PubChem CID135062128
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Namemethyl 2-[(1-ethylpyrrolo[2,3-b]pyridin-4-yl)amino]acetate
SMILESCCn1ccc2c(NCC(=O)OC)ccnc21
InChIInChI=1S/C12H15N3O2/c1-3-15-7-5-9-10(4-6-13-12(9)15)14-8-11(16)17-2/h4-7H,3,8H2,1-2H3,(H,13,14)
InChIKeyVKAYDDBQPZMRLB-UHFFFAOYSA-N
XLogP1.64
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1-methylpyrrolo[2,3-b]pyridin-4-yl)amino]acetic acid
CID 83832708
2-amino-N-(1-ethylpyrrolo[2,3-b]pyridin-4-yl)benzamide
CID 135061172
methyl 2-[(6-propylpyrimidin-4-yl)amino]acetate
CID 61240139
methyl 2-[[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]amino]acetate
CID 80777733
methyl 2-[2-(trifluoromethoxy)anilino]acetate
CID 28577783
methyl 2-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)amino]acetate
CID 80776875
methyl 2-[2-ethoxy-3-(4-methylphenyl)sulfonylanilino]acetate
CID 22304005
ethyl 3-(4-isocyanopyrrolo[2,3-b]pyridin-1-yl)propanoate
CID 87413673
methyl 2-[(6-propylpyridazin-3-yl)amino]acetate
CID 116971973
methyl 2-(2-phenylanilino)acetate
CID 28569437
methyl 2-(pyridin-2-ylamino)acetate;hydrochloride
CID 18418885
methyl 5-bromo-1-ethylpyrrolo[2,3-b]pyridine-6-carboxylate
CID 171820201

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1-ethylpyrrolo[2,3-b]pyridin-4-yl)amino]acetate?
The IUPAC name of methyl 2-[(1-ethylpyrrolo[2,3-b]pyridin-4-yl)amino]acetate (CID 135062128) is methyl 2-[(1-ethylpyrrolo[2,3-b]pyridin-4-yl)amino]acetate.
What is the SMILES notation for methyl 2-[(1-ethylpyrrolo[2,3-b]pyridin-4-yl)amino]acetate?
The canonical SMILES for methyl 2-[(1-ethylpyrrolo[2,3-b]pyridin-4-yl)amino]acetate is CCn1ccc2c(NCC(=O)OC)ccnc21.
What is the InChIKey of methyl 2-[(1-ethylpyrrolo[2,3-b]pyridin-4-yl)amino]acetate?
The InChIKey is VKAYDDBQPZMRLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-3-15-7-5-9-10(4-6-13-12(9)15)14-8-11(16)17-2/h4-7H,3,8H2,1-2H3,(H,13,14).
What are the key properties of methyl 2-[(1-ethylpyrrolo[2,3-b]pyridin-4-yl)amino]acetate?
methyl 2-[(1-ethylpyrrolo[2,3-b]pyridin-4-yl)amino]acetate has a molecular weight of 233.27 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1-ethylpyrrolo[2,3-b]pyridin-4-yl)amino]acetate is sourced from PubChem (CID 135062128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).