methyl 2-(3-phenylprop-2-enylamino)propanoate

C13H17NO2 — CID 78989064

IUPACmethyl 2-(3-phenylprop-2-enylamino)propanoate
SMILESCOC(=O)C(C)NCC=Cc1ccccc1
InChIInChI=1S/C13H17NO2/c1-11(13(15)16-2)14-10-6-9-12-7-4-3-5-8-12/h3-9,11,14H,10H2,1-2H3
InChIKeyQHPJSTHJHGLOJP-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.85
Rot. Bonds5

About methyl 2-(3-phenylprop-2-enylamino)propanoate

methyl 2-(3-phenylprop-2-enylamino)propanoate (PubChem CID 78989064) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is methyl 2-(3-phenylprop-2-enylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-(3-phenylprop-2-enylamino)propanoate
PubChem CID78989064
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Namemethyl 2-(3-phenylprop-2-enylamino)propanoate
SMILESCOC(=O)C(C)NCC=Cc1ccccc1
InChIInChI=1S/C13H17NO2/c1-11(13(15)16-2)14-10-6-9-12-7-4-3-5-8-12/h3-9,11,14H,10H2,1-2H3
InChIKeyQHPJSTHJHGLOJP-UHFFFAOYSA-N
XLogP1.85
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-(3-phenylprop-2-enylamino)propanamide
CID 76940370
N-tert-butyl-2-[[(E)-3-phenylprop-2-enyl]amino]propanamide
CID 115605485
3-methyl-2-(3-phenylprop-2-enylamino)butanoic acid
CID 71827506
3-phenyl-N-propan-2-ylprop-2-en-1-amine
CID 54218883
3-methyl-2-[[(E)-3-phenylprop-2-enyl]amino]butanoic acid;hydrochloride
CID 51051827
ethyl 2-phenyl-2-[[(E)-3-phenylprop-2-enyl]amino]acetate
CID 90042137
1-methoxy-3-methyl-N-(3-phenylprop-2-enyl)butan-2-amine
CID 77055971
(E)-3-phenyl-N-[(1R)-1-phenylethyl]prop-2-en-1-amine
CID 7202013
(Z)-3-phenyl-N-[(1S)-1-phenylethyl]prop-2-en-1-amine
CID 15311491
methyl (2S)-2-[[(E)-4-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]but-2-enyl]amino]-3-phenylpropanoate
CID 15499312
dimethyl (2S)-2-hydroxy-3-(3-phenylprop-2-enyl)butanedioate
CID 57271011
methyl (E)-3-methyl-2-[(E)-3-phenylprop-2-enyl]hex-4-enoate
CID 102485745

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-phenylprop-2-enylamino)propanoate?
The IUPAC name of methyl 2-(3-phenylprop-2-enylamino)propanoate (CID 78989064) is methyl 2-(3-phenylprop-2-enylamino)propanoate.
What is the SMILES notation for methyl 2-(3-phenylprop-2-enylamino)propanoate?
The canonical SMILES for methyl 2-(3-phenylprop-2-enylamino)propanoate is COC(=O)C(C)NCC=Cc1ccccc1.
What is the InChIKey of methyl 2-(3-phenylprop-2-enylamino)propanoate?
The InChIKey is QHPJSTHJHGLOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-11(13(15)16-2)14-10-6-9-12-7-4-3-5-8-12/h3-9,11,14H,10H2,1-2H3.
What are the key properties of methyl 2-(3-phenylprop-2-enylamino)propanoate?
methyl 2-(3-phenylprop-2-enylamino)propanoate has a molecular weight of 219.28 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-phenylprop-2-enylamino)propanoate is sourced from PubChem (CID 78989064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).