methyl 2-[benzyl(prop-2-enyl)amino]acetate

C13H17NO2 — CID 10798914

IUPACmethyl 2-[benzyl(prop-2-enyl)amino]acetate
SMILESC=CCN(CC(=O)OC)Cc1ccccc1
InChIInChI=1S/C13H17NO2/c1-3-9-14(11-13(15)16-2)10-12-7-5-4-6-8-12/h3-8H,1,9-11H2,2H3
InChIKeyVVYWSEKJVXXTQL-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.85
Rot. Bonds6

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

methyl 2-[benzyl(prop-2-enyl)amino]acetate (PubChem CID 10798914) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is methyl 2-[benzyl(prop-2-enyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[benzyl(prop-2-enyl)amino]acetate
PubChem CID10798914
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Namemethyl 2-[benzyl(prop-2-enyl)amino]acetate
SMILESC=CCN(CC(=O)OC)Cc1ccccc1
InChIInChI=1S/C13H17NO2/c1-3-9-14(11-13(15)16-2)10-12-7-5-4-6-8-12/h3-8H,1,9-11H2,2H3
InChIKeyVVYWSEKJVXXTQL-UHFFFAOYSA-N
XLogP1.85
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 2-[benzyl(prop-2-enyl)amino]acetate
CID 134867312
methyl 2-[benzyl-[2-oxo-2-(prop-2-enylamino)ethyl]amino]acetate
CID 60565095
methyl 2-[bis(prop-2-enyl)amino]acetate;hydrochloride
CID 173397356
methyl 2-[benzyl(prop-2-ynyl)amino]acetate
CID 87487327
methyl 2-[benzyl-[(9-methylcyclodeca-1,3,5,7,9-pentaen-1-yl)methyl]amino]acetate
CID 142841781
(E)-N-benzyl-2-bromo-N-prop-2-enylbut-2-en-1-amine
CID 10612741
methyl 2-[[2-[bis(2-methoxy-2-oxoethyl)amino]-2-[[bis(2-methoxy-2-oxoethyl)amino]methyl]-3-(dibenzylamino)propyl]-(2-methoxy-2-oxoethyl)amino]acetate
CID 67493893
2-[benzyl(prop-2-enyl)amino]-N-(4-ethylphenyl)acetamide
CID 55598658
tert-butyl 3-[benzyl(prop-2-enyl)amino]propanoate
CID 102165684
2-[benzyl(prop-2-enyl)amino]-N-(4-ethoxyphenyl)acetamide
CID 35164000
methyl 4-[[bis(prop-2-enyl)amino]methyl]benzoate
CID 10263907
N-benzyl-N-ethylprop-2-en-1-amine;hydrochloride
CID 173066031

Frequently Asked Questions

What is the IUPAC name of methyl 2-[benzyl(prop-2-enyl)amino]acetate?
The IUPAC name of methyl 2-[benzyl(prop-2-enyl)amino]acetate (CID 10798914) is methyl 2-[benzyl(prop-2-enyl)amino]acetate.
What is the SMILES notation for methyl 2-[benzyl(prop-2-enyl)amino]acetate?
The canonical SMILES for methyl 2-[benzyl(prop-2-enyl)amino]acetate is C=CCN(CC(=O)OC)Cc1ccccc1.
What is the InChIKey of methyl 2-[benzyl(prop-2-enyl)amino]acetate?
The InChIKey is VVYWSEKJVXXTQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-3-9-14(11-13(15)16-2)10-12-7-5-4-6-8-12/h3-8H,1,9-11H2,2H3.
What are the key properties of methyl 2-[benzyl(prop-2-enyl)amino]acetate?
methyl 2-[benzyl(prop-2-enyl)amino]acetate has a molecular weight of 219.28 g/mol, XLogP of 1.85, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[benzyl(prop-2-enyl)amino]acetate is sourced from PubChem (CID 10798914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).