tert-butyl (2S)-2-(naphthalen-2-ylmethylideneamino)propanoate

C18H21NO2 — CID 24755707

IUPACtert-butyl (2S)-2-(naphthalen-2-ylmethylideneamino)propanoate
SMILESC[C@H](/N=C/c1ccc2ccccc2c1)C(=O)OC(C)(C)C
InChIInChI=1S/C18H21NO2/c1-13(17(20)21-18(2,3)4)19-12-14-9-10-15-7-5-6-8-16(15)11-14/h5-13H,1-4H3/b19-12+/t13-/m0/s1
InChIKeyPYCSJJKCARYGSE-HCZVKUGISA-N
MW283.37 g/mol
LogP3.99
Rot. Bonds3

About tert-butyl (2S)-2-(naphthalen-2-ylmethylideneamino)propanoate

tert-butyl (2S)-2-(naphthalen-2-ylmethylideneamino)propanoate (PubChem CID 24755707) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is tert-butyl (2S)-2-(naphthalen-2-ylmethylideneamino)propanoate.

Molecular Properties

Compound Nametert-butyl (2S)-2-(naphthalen-2-ylmethylideneamino)propanoate
PubChem CID24755707
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Nametert-butyl (2S)-2-(naphthalen-2-ylmethylideneamino)propanoate
SMILESC[C@H](/N=C/c1ccc2ccccc2c1)C(=O)OC(C)(C)C
InChIInChI=1S/C18H21NO2/c1-13(17(20)21-18(2,3)4)19-12-14-9-10-15-7-5-6-8-16(15)11-14/h5-13H,1-4H3/b19-12+/t13-/m0/s1
InChIKeyPYCSJJKCARYGSE-HCZVKUGISA-N
XLogP3.99
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-(naphthalen-2-ylmethylideneamino)propanoate?
The IUPAC name of tert-butyl (2S)-2-(naphthalen-2-ylmethylideneamino)propanoate (CID 24755707) is tert-butyl (2S)-2-(naphthalen-2-ylmethylideneamino)propanoate.
What is the SMILES notation for tert-butyl (2S)-2-(naphthalen-2-ylmethylideneamino)propanoate?
The canonical SMILES for tert-butyl (2S)-2-(naphthalen-2-ylmethylideneamino)propanoate is C[C@H](/N=C/c1ccc2ccccc2c1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2S)-2-(naphthalen-2-ylmethylideneamino)propanoate?
The InChIKey is PYCSJJKCARYGSE-HCZVKUGISA-N. The full InChI is InChI=1S/C18H21NO2/c1-13(17(20)21-18(2,3)4)19-12-14-9-10-15-7-5-6-8-16(15)11-14/h5-13H,1-4H3/b19-12+/t13-/m0/s1.
What are the key properties of tert-butyl (2S)-2-(naphthalen-2-ylmethylideneamino)propanoate?
tert-butyl (2S)-2-(naphthalen-2-ylmethylideneamino)propanoate has a molecular weight of 283.37 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-(naphthalen-2-ylmethylideneamino)propanoate is sourced from PubChem (CID 24755707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).