tert-butyl N-[(1R)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-inden-1-yl]carbamate

C20H30BNO4 — CID 164886191

IUPACtert-butyl N-[(1R)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-inden-1-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CCc2cc(B3OC(C)(C)C(C)(C)O3)ccc21
InChIInChI=1S/C20H30BNO4/c1-18(2,3)24-17(23)22-16-11-8-13-12-14(9-10-15(13)16)21-25-19(4,5)20(6,7)26-21/h9-10,12,16H,8,11H2,1-7H3,(H,22,23)/t16-/m1/s1
InChIKeyOEDURMYINMZSQS-MRXNPFEDSA-N
MW359.28 g/mol
LogP3.50
Rot. Bonds2

About tert-butyl N-[(1R)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-inden-1-yl]carbamate

tert-butyl N-[(1R)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-inden-1-yl]carbamate (PubChem CID 164886191) has the molecular formula C20H30BNO4 and a molecular weight of 359.28 g/mol. Its IUPAC name is tert-butyl N-[(1R)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-inden-1-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-inden-1-yl]carbamate
PubChem CID164886191
Molecular FormulaC20H30BNO4
Molecular Weight359.28 g/mol
Exact Mass359.23
IUPAC Nametert-butyl N-[(1R)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-inden-1-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CCc2cc(B3OC(C)(C)C(C)(C)O3)ccc21
InChIInChI=1S/C20H30BNO4/c1-18(2,3)24-17(23)22-16-11-8-13-12-14(9-10-15(13)16)21-25-19(4,5)20(6,7)26-21/h9-10,12,16H,8,11H2,1-7H3,(H,22,23)/t16-/m1/s1
InChIKeyOEDURMYINMZSQS-MRXNPFEDSA-N
XLogP3.50
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.28
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-{[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl}carbamate
CID 2760591
4-(tert-Butoxycarbonylaminomethyl)phenylboronic acid, pinacol ester
CID 3415442
tert-butyl ((1R,2R)-2-amino-2,3-dihydro-1H-inden-1-yl)carbamate
CID 11299644
tert-butyl N-{2-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethyl}carbamate
CID 20806728
tert-butyl N-((1S,2S)-2-amino-2,3-dihydro-1H-inden-1-yl)carbamate
CID 50999060
tert-butyl N-((2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)methyl)carbamate
CID 56776828
tert-butyl N-{2-[3-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethyl}carbamate
CID 57366770
tert-butyl N-{2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethyl}carbamate
CID 67000000
(S)-tert-butyl (1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)ethyl)carbamate
CID 67451913
tert-Butyl (5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-inden-2-yl)carbamate
CID 89682200
tert-Butyl (2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)carbamate
CID 123286452
Carbamic acid, N-[(1S)-4-cyano-2,3-dihydro-1H-inden-1-yl]-, 1,1-dimethylethyl ester
CID 67312959

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-inden-1-yl]carbamate?
The IUPAC name of tert-butyl N-[(1R)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-inden-1-yl]carbamate (CID 164886191) is tert-butyl N-[(1R)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-inden-1-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-inden-1-yl]carbamate?
The canonical SMILES for tert-butyl N-[(1R)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-inden-1-yl]carbamate is CC(C)(C)OC(=O)N[C@@H]1CCc2cc(B3OC(C)(C)C(C)(C)O3)ccc21.
What is the InChIKey of tert-butyl N-[(1R)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-inden-1-yl]carbamate?
The InChIKey is OEDURMYINMZSQS-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H30BNO4/c1-18(2,3)24-17(23)22-16-11-8-13-12-14(9-10-15(13)16)21-25-19(4,5)20(6,7)26-21/h9-10,12,16H,8,11H2,1-7H3,(H,22,23)/t16-/m1/s1.
What are the key properties of tert-butyl N-[(1R)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-inden-1-yl]carbamate?
tert-butyl N-[(1R)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-inden-1-yl]carbamate has a molecular weight of 359.28 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-inden-1-yl]carbamate is sourced from PubChem (CID 164886191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).