tert-butyl N-[1-[(1R,8S)-4-azatricyclo[4.3.1.13,8]undecan-4-yl]-2-methyl-1-oxopropan-2-yl]carbamate

C19H32N2O3 — CID 95164364

IUPACtert-butyl N-[1-[(1R,8S)-4-azatricyclo[4.3.1.13,8]undecan-4-yl]-2-methyl-1-oxopropan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(C)(C)C(=O)N1CC2C[C@@H]3CC1C[C@H](C2)C3
InChIInChI=1S/C19H32N2O3/c1-18(2,3)24-17(23)20-19(4,5)16(22)21-11-14-7-12-6-13(8-14)10-15(21)9-12/h12-15H,6-11H2,1-5H3,(H,20,23)/t12-,13+,14?,15?
InChIKeyWVSZGYARGJDYDR-DGKWVBSXSA-N
MW336.48 g/mol
LogP3.33
Rot. Bonds2

About tert-butyl N-[1-[(1R,8S)-4-azatricyclo[4.3.1.13,8]undecan-4-yl]-2-methyl-1-oxopropan-2-yl]carbamate

tert-butyl N-[1-[(1R,8S)-4-azatricyclo[4.3.1.13,8]undecan-4-yl]-2-methyl-1-oxopropan-2-yl]carbamate (PubChem CID 95164364) has the molecular formula C19H32N2O3 and a molecular weight of 336.48 g/mol. Its IUPAC name is tert-butyl N-[1-[(1R,8S)-4-azatricyclo[4.3.1.13,8]undecan-4-yl]-2-methyl-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[(1R,8S)-4-azatricyclo[4.3.1.13,8]undecan-4-yl]-2-methyl-1-oxopropan-2-yl]carbamate
PubChem CID95164364
Molecular FormulaC19H32N2O3
Molecular Weight336.48 g/mol
Exact Mass336.24
IUPAC Nametert-butyl N-[1-[(1R,8S)-4-azatricyclo[4.3.1.13,8]undecan-4-yl]-2-methyl-1-oxopropan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(C)(C)C(=O)N1CC2C[C@@H]3CC1C[C@H](C2)C3
InChIInChI=1S/C19H32N2O3/c1-18(2,3)24-17(23)20-19(4,5)16(22)21-11-14-7-12-6-13(8-14)10-15(21)9-12/h12-15H,6-11H2,1-5H3,(H,20,23)/t12-,13+,14?,15?
InChIKeyWVSZGYARGJDYDR-DGKWVBSXSA-N
XLogP3.33
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[(1R,8S)-4-azatricyclo[4.3.1.13,8]undecan-4-yl]-2-methyl-1-oxopropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[(1R,8S)-4-azatricyclo[4.3.1.13,8]undecan-4-yl]-2-methyl-1-oxopropan-2-yl]carbamate (CID 95164364) is tert-butyl N-[1-[(1R,8S)-4-azatricyclo[4.3.1.13,8]undecan-4-yl]-2-methyl-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[(1R,8S)-4-azatricyclo[4.3.1.13,8]undecan-4-yl]-2-methyl-1-oxopropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[(1R,8S)-4-azatricyclo[4.3.1.13,8]undecan-4-yl]-2-methyl-1-oxopropan-2-yl]carbamate is CC(C)(C)OC(=O)NC(C)(C)C(=O)N1CC2C[C@@H]3CC1C[C@H](C2)C3.
What is the InChIKey of tert-butyl N-[1-[(1R,8S)-4-azatricyclo[4.3.1.13,8]undecan-4-yl]-2-methyl-1-oxopropan-2-yl]carbamate?
The InChIKey is WVSZGYARGJDYDR-DGKWVBSXSA-N. The full InChI is InChI=1S/C19H32N2O3/c1-18(2,3)24-17(23)20-19(4,5)16(22)21-11-14-7-12-6-13(8-14)10-15(21)9-12/h12-15H,6-11H2,1-5H3,(H,20,23)/t12-,13+,14?,15?.
What are the key properties of tert-butyl N-[1-[(1R,8S)-4-azatricyclo[4.3.1.13,8]undecan-4-yl]-2-methyl-1-oxopropan-2-yl]carbamate?
tert-butyl N-[1-[(1R,8S)-4-azatricyclo[4.3.1.13,8]undecan-4-yl]-2-methyl-1-oxopropan-2-yl]carbamate has a molecular weight of 336.48 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[(1R,8S)-4-azatricyclo[4.3.1.13,8]undecan-4-yl]-2-methyl-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 95164364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).