tert-butyl (2R)-3-methyl-2-[[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]butanoate

C19H33NO2 — CID 14272506

IUPACtert-butyl (2R)-3-methyl-2-[[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]butanoate
SMILESCC(C)[C@@H](/N=C1\C[C@H]2CC[C@]1(C)C2(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C19H33NO2/c1-12(2)15(16(21)22-17(3,4)5)20-14-11-13-9-10-19(14,8)18(13,6)7/h12-13,15H,9-11H2,1-8H3/b20-14+/t13-,15-,19+/m1/s1
InChIKeySLMAGPWQMCCEDB-MNKSZQBYSA-N
MW307.48 g/mol
LogP4.64
Rot. Bonds3

About tert-butyl (2R)-3-methyl-2-[[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]butanoate

tert-butyl (2R)-3-methyl-2-[[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]butanoate (PubChem CID 14272506) has the molecular formula C19H33NO2 and a molecular weight of 307.48 g/mol. Its IUPAC name is tert-butyl (2R)-3-methyl-2-[[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]butanoate.

Molecular Properties

Compound Nametert-butyl (2R)-3-methyl-2-[[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]butanoate
PubChem CID14272506
Molecular FormulaC19H33NO2
Molecular Weight307.48 g/mol
Exact Mass307.25
IUPAC Nametert-butyl (2R)-3-methyl-2-[[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]butanoate
SMILESCC(C)[C@@H](/N=C1\C[C@H]2CC[C@]1(C)C2(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C19H33NO2/c1-12(2)15(16(21)22-17(3,4)5)20-14-11-13-9-10-19(14,8)18(13,6)7/h12-13,15H,9-11H2,1-8H3/b20-14+/t13-,15-,19+/m1/s1
InChIKeySLMAGPWQMCCEDB-MNKSZQBYSA-N
XLogP4.64
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.48
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze tert-butyl (2R)-3-methyl-2-[[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]butanoate 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 (2R)-3-methyl-2-[[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]butanoate?
The IUPAC name of tert-butyl (2R)-3-methyl-2-[[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]butanoate (CID 14272506) is tert-butyl (2R)-3-methyl-2-[[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]butanoate.
What is the SMILES notation for tert-butyl (2R)-3-methyl-2-[[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]butanoate?
The canonical SMILES for tert-butyl (2R)-3-methyl-2-[[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]butanoate is CC(C)[C@@H](/N=C1\C[C@H]2CC[C@]1(C)C2(C)C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R)-3-methyl-2-[[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]butanoate?
The InChIKey is SLMAGPWQMCCEDB-MNKSZQBYSA-N. The full InChI is InChI=1S/C19H33NO2/c1-12(2)15(16(21)22-17(3,4)5)20-14-11-13-9-10-19(14,8)18(13,6)7/h12-13,15H,9-11H2,1-8H3/b20-14+/t13-,15-,19+/m1/s1.
What are the key properties of tert-butyl (2R)-3-methyl-2-[[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]butanoate?
tert-butyl (2R)-3-methyl-2-[[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]butanoate has a molecular weight of 307.48 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-3-methyl-2-[[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]butanoate is sourced from PubChem (CID 14272506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).