tert-butyl (2R)-2-(phenylmethoxymethyl)-2,3-dihydropyrrolo[2,3-c]pyridine-1-carboxylate

C20H24N2O3 — CID 118576806

IUPACtert-butyl (2R)-2-(phenylmethoxymethyl)-2,3-dihydropyrrolo[2,3-c]pyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1c2cnccc2C[C@@H]1COCc1ccccc1
InChIInChI=1S/C20H24N2O3/c1-20(2,3)25-19(23)22-17(11-16-9-10-21-12-18(16)22)14-24-13-15-7-5-4-6-8-15/h4-10,12,17H,11,13-14H2,1-3H3/t17-/m1/s1
InChIKeyQFFVZIRQKMVRDE-QGZVFWFLSA-N
MW340.42 g/mol
LogP3.96
Rot. Bonds4

About tert-butyl (2R)-2-(phenylmethoxymethyl)-2,3-dihydropyrrolo[2,3-c]pyridine-1-carboxylate

tert-butyl (2R)-2-(phenylmethoxymethyl)-2,3-dihydropyrrolo[2,3-c]pyridine-1-carboxylate (PubChem CID 118576806) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is tert-butyl (2R)-2-(phenylmethoxymethyl)-2,3-dihydropyrrolo[2,3-c]pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-(phenylmethoxymethyl)-2,3-dihydropyrrolo[2,3-c]pyridine-1-carboxylate
PubChem CID118576806
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Nametert-butyl (2R)-2-(phenylmethoxymethyl)-2,3-dihydropyrrolo[2,3-c]pyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1c2cnccc2C[C@@H]1COCc1ccccc1
InChIInChI=1S/C20H24N2O3/c1-20(2,3)25-19(23)22-17(11-16-9-10-21-12-18(16)22)14-24-13-15-7-5-4-6-8-15/h4-10,12,17H,11,13-14H2,1-3H3/t17-/m1/s1
InChIKeyQFFVZIRQKMVRDE-QGZVFWFLSA-N
XLogP3.96
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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tert-butyl (3S)-3-(phenylmethoxymethyl)morpholine-4-carboxylate
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CID 24947445
tert-butyl (2S,6S)-2-(hydroxymethyl)-6-(phenylmethoxymethyl)morpholine-4-carboxylate
CID 124656833
tert-butyl 5-(2-chloro-6-methyl-4-pyridinyl)-3-(phenylmethoxymethyl)-2,3-dihydro-1,4-oxazine-4-carboxylate
CID 171499455
tert-butyl (2S,3R)-3-hydroxy-3-methyl-2-(phenylmethoxymethyl)pyrrolidine-1-carboxylate
CID 58149386
tert-butyl 2-[(4-methylphenyl)sulfonyloxymethyl]-2,3-dihydroindole-1-carboxylate
CID 85217316
tert-butyl 4-(benzenesulfonyl)-2-ethenyl-5-(phenylmethoxymethyl)piperazine-1-carboxylate
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tert-butyl (3S)-3-(pyridin-4-ylmethoxymethyl)pyrrolidine-1-carboxylate
CID 97171377

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-(phenylmethoxymethyl)-2,3-dihydropyrrolo[2,3-c]pyridine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-(phenylmethoxymethyl)-2,3-dihydropyrrolo[2,3-c]pyridine-1-carboxylate (CID 118576806) is tert-butyl (2R)-2-(phenylmethoxymethyl)-2,3-dihydropyrrolo[2,3-c]pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-(phenylmethoxymethyl)-2,3-dihydropyrrolo[2,3-c]pyridine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-(phenylmethoxymethyl)-2,3-dihydropyrrolo[2,3-c]pyridine-1-carboxylate is CC(C)(C)OC(=O)N1c2cnccc2C[C@@H]1COCc1ccccc1.
What is the InChIKey of tert-butyl (2R)-2-(phenylmethoxymethyl)-2,3-dihydropyrrolo[2,3-c]pyridine-1-carboxylate?
The InChIKey is QFFVZIRQKMVRDE-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-20(2,3)25-19(23)22-17(11-16-9-10-21-12-18(16)22)14-24-13-15-7-5-4-6-8-15/h4-10,12,17H,11,13-14H2,1-3H3/t17-/m1/s1.
What are the key properties of tert-butyl (2R)-2-(phenylmethoxymethyl)-2,3-dihydropyrrolo[2,3-c]pyridine-1-carboxylate?
tert-butyl (2R)-2-(phenylmethoxymethyl)-2,3-dihydropyrrolo[2,3-c]pyridine-1-carboxylate has a molecular weight of 340.42 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-(phenylmethoxymethyl)-2,3-dihydropyrrolo[2,3-c]pyridine-1-carboxylate is sourced from PubChem (CID 118576806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).