methyl 2-[benzyl(prop-1-enyl)amino]acetate

C13H17NO2 — CID 141322891

IUPACmethyl 2-[benzyl(prop-1-enyl)amino]acetate
SMILESCC=CN(CC(=O)OC)Cc1ccccc1
InChIInChI=1S/C13H17NO2/c1-3-9-14(11-13(15)16-2)10-12-7-5-4-6-8-12/h3-9H,10-11H2,1-2H3
InChIKeyXFDWERLQLWKJBT-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.20
Rot. Bonds5

About methyl 2-[benzyl(prop-1-enyl)amino]acetate

methyl 2-[benzyl(prop-1-enyl)amino]acetate (PubChem CID 141322891) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is methyl 2-[benzyl(prop-1-enyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[benzyl(prop-1-enyl)amino]acetate
PubChem CID141322891
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Namemethyl 2-[benzyl(prop-1-enyl)amino]acetate
SMILESCC=CN(CC(=O)OC)Cc1ccccc1
InChIInChI=1S/C13H17NO2/c1-3-9-14(11-13(15)16-2)10-12-7-5-4-6-8-12/h3-9H,10-11H2,1-2H3
InChIKeyXFDWERLQLWKJBT-UHFFFAOYSA-N
XLogP2.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[benzyl(but-2-enoyl)amino]acetate
CID 78919796
methyl (E)-3-(dibenzylamino)prop-2-enoate
CID 5382919
methyl 2-[benzyl(prop-2-enyl)amino]acetate
CID 10798914
N-benzyl-N-[(Z)-prop-1-enyl]acetamide
CID 68566363
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
methyl 2-[benzyl-[2-oxo-2-(prop-2-enylamino)ethyl]amino]acetate
CID 60565095
methyl 2-[methyl(3-phenylpropyl)amino]acetate
CID 60697820
3-[benzyl-(2-methoxy-2-oxoethyl)amino]butanoic acid
CID 70081456
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
methyl (E)-2-[[benzyl(methyl)amino]methyl]but-2-enoate
CID 10799648
(E)-4-[benzyl(prop-2-enyl)amino]but-3-en-2-one
CID 135043163

Frequently Asked Questions

What is the IUPAC name of methyl 2-[benzyl(prop-1-enyl)amino]acetate?
The IUPAC name of methyl 2-[benzyl(prop-1-enyl)amino]acetate (CID 141322891) is methyl 2-[benzyl(prop-1-enyl)amino]acetate.
What is the SMILES notation for methyl 2-[benzyl(prop-1-enyl)amino]acetate?
The canonical SMILES for methyl 2-[benzyl(prop-1-enyl)amino]acetate is CC=CN(CC(=O)OC)Cc1ccccc1.
What is the InChIKey of methyl 2-[benzyl(prop-1-enyl)amino]acetate?
The InChIKey is XFDWERLQLWKJBT-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/h3-9H,10-11H2,1-2H3.
What are the key properties of methyl 2-[benzyl(prop-1-enyl)amino]acetate?
methyl 2-[benzyl(prop-1-enyl)amino]acetate has a molecular weight of 219.28 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[benzyl(prop-1-enyl)amino]acetate is sourced from PubChem (CID 141322891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).