tert-butyl 2-(benzylideneamino)propanoate

C14H19NO2 — CID 13433756

IUPACtert-butyl 2-(benzylideneamino)propanoate
SMILESCC(/N=C/c1ccccc1)C(=O)OC(C)(C)C
InChIInChI=1S/C14H19NO2/c1-11(13(16)17-14(2,3)4)15-10-12-8-6-5-7-9-12/h5-11H,1-4H3/b15-10+
InChIKeyAMONUZJWIRBZBA-XNTDXEJSSA-N
MW233.31 g/mol
LogP2.84
Rot. Bonds3

About tert-butyl 2-(benzylideneamino)propanoate

tert-butyl 2-(benzylideneamino)propanoate (PubChem CID 13433756) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is tert-butyl 2-(benzylideneamino)propanoate.

Molecular Properties

Compound Nametert-butyl 2-(benzylideneamino)propanoate
PubChem CID13433756
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Nametert-butyl 2-(benzylideneamino)propanoate
SMILESCC(/N=C/c1ccccc1)C(=O)OC(C)(C)C
InChIInChI=1S/C14H19NO2/c1-11(13(16)17-14(2,3)4)15-10-12-8-6-5-7-9-12/h5-11H,1-4H3/b15-10+
InChIKeyAMONUZJWIRBZBA-XNTDXEJSSA-N
XLogP2.84
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-{[(E)-phenylmethylidene]amino}propanoate
CID 583372
N-(Diphenylmethylene)glycine tert-butyl ester
CID 688171
Methyl [(phenylmethylidene)amino]acetate
CID 4169153
tert-Butyl (phenylmethylene)carbamate
CID 9859103
l-Alanine, N-(phenylmethylene)-, methyl ester
CID 1478228
potassium 2-[[(E)-3-phenylprop-2-enylidene]amino]propanoate
CID 101963488
potassium (2S)-3-methyl-2-[[(E)-3-phenylprop-2-enylidene]amino]butanoate
CID 127037628
N-[4-(Trifluoromethyl)benzylidene]glycine ethyl ester
CID 11010696
Methyl (E)-N-[(p-fluorophenyl)methylene]glycinate
CID 11275592
Methyl 2-[4-(trifluoromethyl)benzylideneamino]ethanoate
CID 12118003
Methyl 2-[[4-(trifluoromethyl)phenyl]methylideneamino]propanoate
CID 13240769
Tert-butyl benzylidenecarbamate
CID 57109745

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(benzylideneamino)propanoate?
The IUPAC name of tert-butyl 2-(benzylideneamino)propanoate (CID 13433756) is tert-butyl 2-(benzylideneamino)propanoate.
What is the SMILES notation for tert-butyl 2-(benzylideneamino)propanoate?
The canonical SMILES for tert-butyl 2-(benzylideneamino)propanoate is CC(/N=C/c1ccccc1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-(benzylideneamino)propanoate?
The InChIKey is AMONUZJWIRBZBA-XNTDXEJSSA-N. The full InChI is InChI=1S/C14H19NO2/c1-11(13(16)17-14(2,3)4)15-10-12-8-6-5-7-9-12/h5-11H,1-4H3/b15-10+.
What are the key properties of tert-butyl 2-(benzylideneamino)propanoate?
tert-butyl 2-(benzylideneamino)propanoate has a molecular weight of 233.31 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(benzylideneamino)propanoate is sourced from PubChem (CID 13433756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).