tert-butyl (2S)-2-methyl-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate

C13H18N2O2 — CID 122364870

IUPACtert-butyl (2S)-2-methyl-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate
SMILESC[C@H]1Cc2ncccc2N1C(=O)OC(C)(C)C
InChIInChI=1S/C13H18N2O2/c1-9-8-10-11(6-5-7-14-10)15(9)12(16)17-13(2,3)4/h5-7,9H,8H2,1-4H3/t9-/m0/s1
InChIKeyKSQCGEYRVJQTGM-VIFPVBQESA-N
MW234.30 g/mol
LogP2.77
Rot. Bonds

About tert-butyl (2S)-2-methyl-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate

tert-butyl (2S)-2-methyl-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate (PubChem CID 122364870) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is tert-butyl (2S)-2-methyl-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2-methyl-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate
PubChem CID122364870
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Nametert-butyl (2S)-2-methyl-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate
SMILESC[C@H]1Cc2ncccc2N1C(=O)OC(C)(C)C
InChIInChI=1S/C13H18N2O2/c1-9-8-10-11(6-5-7-14-10)15(9)12(16)17-13(2,3)4/h5-7,9H,8H2,1-4H3/t9-/m0/s1
InChIKeyKSQCGEYRVJQTGM-VIFPVBQESA-N
XLogP2.77
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 7-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate
CID 142416957
tert-butyl 2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate
CID 59566496
tert-butyl 6-hydroxy-2-methyl-2,3-dihydroindole-1-carboxylate
CID 130067891
tert-butyl 6,8-diazatricyclo[7.1.1.02,7]undeca-1(10),2(7),3,5-tetraene-8-carboxylate
CID 164883537
1-acetyl-2,3-dihydropyrrolo[3,2-b]pyridine-2-carboxylic acid
CID 167733667
tert-butyl 5-amino-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate
CID 71700032
tert-butyl 2-methyl-4-quinolin-8-ylpiperazine-1-carboxylate
CID 156557842
tert-butyl 6-formyl-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate
CID 162342912
tert-butyl 3,5-dimethyl-4-pyrimidin-2-ylpiperazine-1-carboxylate
CID 59406986
3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-2-carboxylic acid
CID 131739918
tert-butyl 2-hydroxy-2,3-dihydroindole-1-carboxylate
CID 11287775
tert-butyl (5R)-5-hydroxy-5H-thieno[3,4-f][1,7]naphthyridine-4-carboxylate
CID 819133

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-methyl-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate?
The IUPAC name of tert-butyl (2S)-2-methyl-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate (CID 122364870) is tert-butyl (2S)-2-methyl-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2-methyl-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate?
The canonical SMILES for tert-butyl (2S)-2-methyl-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate is C[C@H]1Cc2ncccc2N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2S)-2-methyl-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate?
The InChIKey is KSQCGEYRVJQTGM-VIFPVBQESA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9-8-10-11(6-5-7-14-10)15(9)12(16)17-13(2,3)4/h5-7,9H,8H2,1-4H3/t9-/m0/s1.
What are the key properties of tert-butyl (2S)-2-methyl-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate?
tert-butyl (2S)-2-methyl-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate has a molecular weight of 234.30 g/mol, XLogP of 2.77, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-methyl-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate is sourced from PubChem (CID 122364870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).