ethyl 1-[(3-hydroxy-3-methylcyclobutyl)methyl]pyrrolo[2,3-b]pyridine-2-carboxylate

C16H20N2O3 — CID 129231370

IUPACethyl 1-[(3-hydroxy-3-methylcyclobutyl)methyl]pyrrolo[2,3-b]pyridine-2-carboxylate
SMILESCCOC(=O)c1cc2cccnc2n1CC1CC(C)(O)C1
InChIInChI=1S/C16H20N2O3/c1-3-21-15(19)13-7-12-5-4-6-17-14(12)18(13)10-11-8-16(2,20)9-11/h4-7,11,20H,3,8-10H2,1-2H3
InChIKeyVDNAJGRMUOLRRW-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.37
Rot. Bonds4

About ethyl 1-[(3-hydroxy-3-methylcyclobutyl)methyl]pyrrolo[2,3-b]pyridine-2-carboxylate

ethyl 1-[(3-hydroxy-3-methylcyclobutyl)methyl]pyrrolo[2,3-b]pyridine-2-carboxylate (PubChem CID 129231370) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is ethyl 1-[(3-hydroxy-3-methylcyclobutyl)methyl]pyrrolo[2,3-b]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(3-hydroxy-3-methylcyclobutyl)methyl]pyrrolo[2,3-b]pyridine-2-carboxylate
PubChem CID129231370
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Nameethyl 1-[(3-hydroxy-3-methylcyclobutyl)methyl]pyrrolo[2,3-b]pyridine-2-carboxylate
SMILESCCOC(=O)c1cc2cccnc2n1CC1CC(C)(O)C1
InChIInChI=1S/C16H20N2O3/c1-3-21-15(19)13-7-12-5-4-6-17-14(12)18(13)10-11-8-16(2,20)9-11/h4-7,11,20H,3,8-10H2,1-2H3
InChIKeyVDNAJGRMUOLRRW-UHFFFAOYSA-N
XLogP2.37
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-(cyclopropylmethyl)-6-morpholin-4-ylpyrrolo[2,3-b]pyridine-2-carboxylate
CID 129231409
ethane;ethyl 2-methyl-1-[(4-oxocyclohexyl)methyl]pyrrolo[2,3-b]pyridine-3-carboxylate
CID 142589918
ethyl 9-(2-methylphenyl)-[1,2,4]triazolo[4,3-a][1,8]naphthyridine-6-carboxylate
CID 11034945
ethyl selenopheno[2,3-b]pyridine-2-carboxylate
CID 611014
2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-7-methoxy-1-methylbenzimidazole-5-carboxylic acid
CID 86340154
ethyl 5-fluoro-1-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]indole-2-carboxylate
CID 68714563
ethyl 5-fluoro-1-[(3-methyl-2-pyridinyl)methyl]indole-2-carboxylate
CID 15979106
ethyl 6-hydroxyquinoline-8-carboxylate
CID 134613311
ethyl 1-aminopyrrolo[3,2-b]pyridine-2-carboxylate
CID 141290589
ethyl 1-(methoxymethyl)-7-[(3-methyl-2-pyridinyl)sulfonylamino]indole-2-carboxylate
CID 67486812
ethyl 4-oxo-1-quinolin-8-yl-1,8-naphthyridine-3-carboxylate
CID 70014598
ethyl 9-(4-chlorophenyl)-[1,2,4]triazolo[4,3-a][1,8]naphthyridine-6-carboxylate
CID 11046411

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(3-hydroxy-3-methylcyclobutyl)methyl]pyrrolo[2,3-b]pyridine-2-carboxylate?
The IUPAC name of ethyl 1-[(3-hydroxy-3-methylcyclobutyl)methyl]pyrrolo[2,3-b]pyridine-2-carboxylate (CID 129231370) is ethyl 1-[(3-hydroxy-3-methylcyclobutyl)methyl]pyrrolo[2,3-b]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 1-[(3-hydroxy-3-methylcyclobutyl)methyl]pyrrolo[2,3-b]pyridine-2-carboxylate?
The canonical SMILES for ethyl 1-[(3-hydroxy-3-methylcyclobutyl)methyl]pyrrolo[2,3-b]pyridine-2-carboxylate is CCOC(=O)c1cc2cccnc2n1CC1CC(C)(O)C1.
What is the InChIKey of ethyl 1-[(3-hydroxy-3-methylcyclobutyl)methyl]pyrrolo[2,3-b]pyridine-2-carboxylate?
The InChIKey is VDNAJGRMUOLRRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-3-21-15(19)13-7-12-5-4-6-17-14(12)18(13)10-11-8-16(2,20)9-11/h4-7,11,20H,3,8-10H2,1-2H3.
What are the key properties of ethyl 1-[(3-hydroxy-3-methylcyclobutyl)methyl]pyrrolo[2,3-b]pyridine-2-carboxylate?
ethyl 1-[(3-hydroxy-3-methylcyclobutyl)methyl]pyrrolo[2,3-b]pyridine-2-carboxylate has a molecular weight of 288.35 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(3-hydroxy-3-methylcyclobutyl)methyl]pyrrolo[2,3-b]pyridine-2-carboxylate is sourced from PubChem (CID 129231370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).