tert-butyl pyrido[3,4-b]indole-2-carboxylate

C16H16N2O2 — CID 143173317

IUPACtert-butyl pyrido[3,4-b]indole-2-carboxylate
SMILESCC(C)(C)OC(=O)n1ccc2c3ccccc3nc-2c1
InChIInChI=1S/C16H16N2O2/c1-16(2,3)20-15(19)18-9-8-12-11-6-4-5-7-13(11)17-14(12)10-18/h4-10H,1-3H3
InChIKeyKKKLCFZDZPITIH-UHFFFAOYSA-N
MW268.32 g/mol
LogP3.92
Rot. Bonds

About tert-butyl pyrido[3,4-b]indole-2-carboxylate

tert-butyl pyrido[3,4-b]indole-2-carboxylate (PubChem CID 143173317) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is tert-butyl pyrido[3,4-b]indole-2-carboxylate.

Molecular Properties

Compound Nametert-butyl pyrido[3,4-b]indole-2-carboxylate
PubChem CID143173317
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Nametert-butyl pyrido[3,4-b]indole-2-carboxylate
SMILESCC(C)(C)OC(=O)n1ccc2c3ccccc3nc-2c1
InChIInChI=1S/C16H16N2O2/c1-16(2,3)20-15(19)18-9-8-12-11-6-4-5-7-13(11)17-14(12)10-18/h4-10H,1-3H3
InChIKeyKKKLCFZDZPITIH-UHFFFAOYSA-N
XLogP3.92
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-O-tert-butyl 8-O-methyl pyrido[4,3-b]indole-2,8-dicarboxylate
CID 141155305
tert-butyl 4-phenylimidazole-1-carboxylate
CID 141103955
tert-butyl 3-naphthalen-1-yl-4-trimethylsilylpyrrole-1-carboxylate
CID 10642616
tert-butyl 3-(hydroxymethyl)pyrrole-1-carboxylate
CID 10821751
[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrol-3-yl]boronic acid
CID 18450544
(2S)-3-(1H-indol-3-yl)-2-[[2-[(2-methylpropan-2-yl)oxycarbonyl]pyrido[3,4-b]indole-3-carbonyl]amino]propanoic acid
CID 141210279
(2S,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(2-phenylquinolin-4-yl)oxypyrrolidine-2-carboxylic acid
CID 58021869
tert-butyl carbamate;2-phenylquinoline
CID 175279486
acetaldehyde;tert-butyl 3-methanidylpyrrole-1-carboxylate;yttrium
CID 58101913
tert-butyl 2,10,12-triazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene-10-carboxylate
CID 122202526
tert-butyl 4-benzylimidazole-1-carboxylate
CID 22958810
tert-butyl 2-naphthalen-1-ylpyrrole-1-carboxylate
CID 15851800

Frequently Asked Questions

What is the IUPAC name of tert-butyl pyrido[3,4-b]indole-2-carboxylate?
The IUPAC name of tert-butyl pyrido[3,4-b]indole-2-carboxylate (CID 143173317) is tert-butyl pyrido[3,4-b]indole-2-carboxylate.
What is the SMILES notation for tert-butyl pyrido[3,4-b]indole-2-carboxylate?
The canonical SMILES for tert-butyl pyrido[3,4-b]indole-2-carboxylate is CC(C)(C)OC(=O)n1ccc2c3ccccc3nc-2c1.
What is the InChIKey of tert-butyl pyrido[3,4-b]indole-2-carboxylate?
The InChIKey is KKKLCFZDZPITIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-16(2,3)20-15(19)18-9-8-12-11-6-4-5-7-13(11)17-14(12)10-18/h4-10H,1-3H3.
What are the key properties of tert-butyl pyrido[3,4-b]indole-2-carboxylate?
tert-butyl pyrido[3,4-b]indole-2-carboxylate has a molecular weight of 268.32 g/mol, XLogP of 3.92, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl pyrido[3,4-b]indole-2-carboxylate is sourced from PubChem (CID 143173317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).