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

C18H30N2O3 — CID 95164372

IUPACtert-butyl N-[(2R)-1-[(1R,8S)-4-azatricyclo[4.3.1.13,8]undecan-4-yl]-1-oxopropan-2-yl]carbamate
SMILESC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2C[C@@H]3CC1C[C@H](C2)C3
InChIInChI=1S/C18H30N2O3/c1-11(19-17(22)23-18(2,3)4)16(21)20-10-14-6-12-5-13(7-14)9-15(20)8-12/h11-15H,5-10H2,1-4H3,(H,19,22)/t11-,12-,13+,14?,15?/m1/s1
InChIKeyCOFBJCYXZVMUMB-DYALKNRASA-N
MW322.45 g/mol
LogP2.94
Rot. Bonds2

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

tert-butyl N-[(2R)-1-[(1R,8S)-4-azatricyclo[4.3.1.13,8]undecan-4-yl]-1-oxopropan-2-yl]carbamate (PubChem CID 95164372) has the molecular formula C18H30N2O3 and a molecular weight of 322.45 g/mol. Its IUPAC name is tert-butyl N-[(2R)-1-[(1R,8S)-4-azatricyclo[4.3.1.13,8]undecan-4-yl]-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-1-[(1R,8S)-4-azatricyclo[4.3.1.13,8]undecan-4-yl]-1-oxopropan-2-yl]carbamate
PubChem CID95164372
Molecular FormulaC18H30N2O3
Molecular Weight322.45 g/mol
Exact Mass322.23
IUPAC Nametert-butyl N-[(2R)-1-[(1R,8S)-4-azatricyclo[4.3.1.13,8]undecan-4-yl]-1-oxopropan-2-yl]carbamate
SMILESC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2C[C@@H]3CC1C[C@H](C2)C3
InChIInChI=1S/C18H30N2O3/c1-11(19-17(22)23-18(2,3)4)16(21)20-10-14-6-12-5-13(7-14)9-15(20)8-12/h11-15H,5-10H2,1-4H3,(H,19,22)/t11-,12-,13+,14?,15?/m1/s1
InChIKeyCOFBJCYXZVMUMB-DYALKNRASA-N
XLogP2.94
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-1-[(1R,8S)-4-azatricyclo[4.3.1.13,8]undecan-4-yl]-1-oxopropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-1-[(1R,8S)-4-azatricyclo[4.3.1.13,8]undecan-4-yl]-1-oxopropan-2-yl]carbamate (CID 95164372) is tert-butyl N-[(2R)-1-[(1R,8S)-4-azatricyclo[4.3.1.13,8]undecan-4-yl]-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-1-[(1R,8S)-4-azatricyclo[4.3.1.13,8]undecan-4-yl]-1-oxopropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-1-[(1R,8S)-4-azatricyclo[4.3.1.13,8]undecan-4-yl]-1-oxopropan-2-yl]carbamate is C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2C[C@@H]3CC1C[C@H](C2)C3.
What is the InChIKey of tert-butyl N-[(2R)-1-[(1R,8S)-4-azatricyclo[4.3.1.13,8]undecan-4-yl]-1-oxopropan-2-yl]carbamate?
The InChIKey is COFBJCYXZVMUMB-DYALKNRASA-N. The full InChI is InChI=1S/C18H30N2O3/c1-11(19-17(22)23-18(2,3)4)16(21)20-10-14-6-12-5-13(7-14)9-15(20)8-12/h11-15H,5-10H2,1-4H3,(H,19,22)/t11-,12-,13+,14?,15?/m1/s1.
What are the key properties of tert-butyl N-[(2R)-1-[(1R,8S)-4-azatricyclo[4.3.1.13,8]undecan-4-yl]-1-oxopropan-2-yl]carbamate?
tert-butyl N-[(2R)-1-[(1R,8S)-4-azatricyclo[4.3.1.13,8]undecan-4-yl]-1-oxopropan-2-yl]carbamate has a molecular weight of 322.45 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-1-[(1R,8S)-4-azatricyclo[4.3.1.13,8]undecan-4-yl]-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 95164372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).