tert-butyl N-[(2S)-3-methyl-1-[(3R,4S)-4-methyl-5-azatricyclo[2.2.1.01,3]heptan-5-yl]-1-oxopentan-2-yl]carbamate

C18H30N2O3 — CID 163819219

IUPACtert-butyl N-[(2S)-3-methyl-1-[(3R,4S)-4-methyl-5-azatricyclo[2.2.1.01,3]heptan-5-yl]-1-oxopentan-2-yl]carbamate
SMILESCCC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC23C[C@H]2[C@]1(C)C3
InChIInChI=1S/C18H30N2O3/c1-7-11(2)13(19-15(22)23-16(3,4)5)14(21)20-10-18-8-12(18)17(20,6)9-18/h11-13H,7-10H2,1-6H3,(H,19,22)/t11?,12-,13-,17-,18?/m0/s1
InChIKeyNTZCJQCRNAEQBJ-DAYCGJPWSA-N
MW322.45 g/mol
LogP2.94
Rot. Bonds4

About tert-butyl N-[(2S)-3-methyl-1-[(3R,4S)-4-methyl-5-azatricyclo[2.2.1.01,3]heptan-5-yl]-1-oxopentan-2-yl]carbamate

tert-butyl N-[(2S)-3-methyl-1-[(3R,4S)-4-methyl-5-azatricyclo[2.2.1.01,3]heptan-5-yl]-1-oxopentan-2-yl]carbamate (PubChem CID 163819219) has the molecular formula C18H30N2O3 and a molecular weight of 322.45 g/mol. Its IUPAC name is tert-butyl N-[(2S)-3-methyl-1-[(3R,4S)-4-methyl-5-azatricyclo[2.2.1.01,3]heptan-5-yl]-1-oxopentan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-3-methyl-1-[(3R,4S)-4-methyl-5-azatricyclo[2.2.1.01,3]heptan-5-yl]-1-oxopentan-2-yl]carbamate
PubChem CID163819219
Molecular FormulaC18H30N2O3
Molecular Weight322.45 g/mol
Exact Mass322.23
IUPAC Nametert-butyl N-[(2S)-3-methyl-1-[(3R,4S)-4-methyl-5-azatricyclo[2.2.1.01,3]heptan-5-yl]-1-oxopentan-2-yl]carbamate
SMILESCCC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC23C[C@H]2[C@]1(C)C3
InChIInChI=1S/C18H30N2O3/c1-7-11(2)13(19-15(22)23-16(3,4)5)14(21)20-10-18-8-12(18)17(20,6)9-18/h11-13H,7-10H2,1-6H3,(H,19,22)/t11?,12-,13-,17-,18?/m0/s1
InChIKeyNTZCJQCRNAEQBJ-DAYCGJPWSA-N
XLogP2.94
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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-[(2S)-3-methyl-1-[(3R,4S)-4-methyl-5-azatricyclo[2.2.1.01,3]heptan-5-yl]-1-oxopentan-2-yl]carbamate with MolForge

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Related Compounds

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tert-butyl N-(1-bromo-3-methyl-1-oxopentan-2-yl)carbamate
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iodomethyl (2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
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tert-butyl N-[(3S)-1-[dimethyl(oxo)-λ6-sulfanylidene]-4-methyl-2-oxohexan-3-yl]carbamate
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3-methyl-2-[[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]butanoic acid
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-3-methyl-1-[(3R,4S)-4-methyl-5-azatricyclo[2.2.1.01,3]heptan-5-yl]-1-oxopentan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-3-methyl-1-[(3R,4S)-4-methyl-5-azatricyclo[2.2.1.01,3]heptan-5-yl]-1-oxopentan-2-yl]carbamate (CID 163819219) is tert-butyl N-[(2S)-3-methyl-1-[(3R,4S)-4-methyl-5-azatricyclo[2.2.1.01,3]heptan-5-yl]-1-oxopentan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-3-methyl-1-[(3R,4S)-4-methyl-5-azatricyclo[2.2.1.01,3]heptan-5-yl]-1-oxopentan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-3-methyl-1-[(3R,4S)-4-methyl-5-azatricyclo[2.2.1.01,3]heptan-5-yl]-1-oxopentan-2-yl]carbamate is CCC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC23C[C@H]2[C@]1(C)C3.
What is the InChIKey of tert-butyl N-[(2S)-3-methyl-1-[(3R,4S)-4-methyl-5-azatricyclo[2.2.1.01,3]heptan-5-yl]-1-oxopentan-2-yl]carbamate?
The InChIKey is NTZCJQCRNAEQBJ-DAYCGJPWSA-N. The full InChI is InChI=1S/C18H30N2O3/c1-7-11(2)13(19-15(22)23-16(3,4)5)14(21)20-10-18-8-12(18)17(20,6)9-18/h11-13H,7-10H2,1-6H3,(H,19,22)/t11?,12-,13-,17-,18?/m0/s1.
What are the key properties of tert-butyl N-[(2S)-3-methyl-1-[(3R,4S)-4-methyl-5-azatricyclo[2.2.1.01,3]heptan-5-yl]-1-oxopentan-2-yl]carbamate?
tert-butyl N-[(2S)-3-methyl-1-[(3R,4S)-4-methyl-5-azatricyclo[2.2.1.01,3]heptan-5-yl]-1-oxopentan-2-yl]carbamate has a molecular weight of 322.45 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-3-methyl-1-[(3R,4S)-4-methyl-5-azatricyclo[2.2.1.01,3]heptan-5-yl]-1-oxopentan-2-yl]carbamate is sourced from PubChem (CID 163819219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).