tert-butyl 2-[benzyl(prop-2-enyl)amino]acetate

C16H23NO2 — CID 134867312

IUPACtert-butyl 2-[benzyl(prop-2-enyl)amino]acetate
SMILESC=CCN(CC(=O)OC(C)(C)C)Cc1ccccc1
InChIInChI=1S/C16H23NO2/c1-5-11-17(12-14-9-7-6-8-10-14)13-15(18)19-16(2,3)4/h5-10H,1,11-13H2,2-4H3
InChIKeyBBQIWBMFOVVWHF-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.02
Rot. Bonds6

About tert-butyl 2-[benzyl(prop-2-enyl)amino]acetate

tert-butyl 2-[benzyl(prop-2-enyl)amino]acetate (PubChem CID 134867312) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is tert-butyl 2-[benzyl(prop-2-enyl)amino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[benzyl(prop-2-enyl)amino]acetate
PubChem CID134867312
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Nametert-butyl 2-[benzyl(prop-2-enyl)amino]acetate
SMILESC=CCN(CC(=O)OC(C)(C)C)Cc1ccccc1
InChIInChI=1S/C16H23NO2/c1-5-11-17(12-14-9-7-6-8-10-14)13-15(18)19-16(2,3)4/h5-10H,1,11-13H2,2-4H3
InChIKeyBBQIWBMFOVVWHF-UHFFFAOYSA-N
XLogP3.02
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl 2-[benzyl(prop-2-enyl)amino]acetate with MolForge

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

Launch Full Analysis

Related Compounds

Ethyl 2-(4-benzylpiperazin-1-yl)acetate
CID 5060109
Benzenemethanaminium, N,N-dimethyl-N-[2-[(2-methyl-1-oxo-2-propen-1-yl)oxy]ethyl]-, chloride (1:1)
CID 94530
Dimethylaminoethyl acrylate benzyl chloride
CID 162073
N-Benzylaminodiacetic acid
CID 77606
3-[Benzyl-(2-Methoxycarbonyl-Ethyl)-Amino]-Propionic Acid Methyl Ester
CID 69926
2-(Dibenzylamino)acetic acid
CID 174082
N-Benzylglycine ethyl ester
CID 80908
(2-methoxy-2-oxoethyl)-dimethyl-[(Z)-3-phenylprop-2-enyl]azanium bromide
CID 16192814
Methyl 2-(benzylamino)acetate
CID 422659
Diethyl benzyliminodiacetate
CID 5235503
Ethyl 2-(benzyl((tert-butoxy)carbonyl)amino)acetate
CID 10565655
N-(3-Methoxy-2-methyl-3-oxopropyl)-N-(phenylmethyl)-beta-alanine ethyl ester
CID 98098

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[benzyl(prop-2-enyl)amino]acetate?
The IUPAC name of tert-butyl 2-[benzyl(prop-2-enyl)amino]acetate (CID 134867312) is tert-butyl 2-[benzyl(prop-2-enyl)amino]acetate.
What is the SMILES notation for tert-butyl 2-[benzyl(prop-2-enyl)amino]acetate?
The canonical SMILES for tert-butyl 2-[benzyl(prop-2-enyl)amino]acetate is C=CCN(CC(=O)OC(C)(C)C)Cc1ccccc1.
What is the InChIKey of tert-butyl 2-[benzyl(prop-2-enyl)amino]acetate?
The InChIKey is BBQIWBMFOVVWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-5-11-17(12-14-9-7-6-8-10-14)13-15(18)19-16(2,3)4/h5-10H,1,11-13H2,2-4H3.
What are the key properties of tert-butyl 2-[benzyl(prop-2-enyl)amino]acetate?
tert-butyl 2-[benzyl(prop-2-enyl)amino]acetate has a molecular weight of 261.37 g/mol, XLogP of 3.02, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[benzyl(prop-2-enyl)amino]acetate is sourced from PubChem (CID 134867312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).