ethyl 3-phenyl-2-(prop-2-enylamino)propanoate

C14H19NO2 — CID 55063338

IUPACethyl 3-phenyl-2-(prop-2-enylamino)propanoate
SMILESC=CCNC(Cc1ccccc1)C(=O)OCC
InChIInChI=1S/C14H19NO2/c1-3-10-15-13(14(16)17-4-2)11-12-8-6-5-7-9-12/h3,5-9,13,15H,1,4,10-11H2,2H3
InChIKeyTWFWCAATTPKCGI-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.94
Rot. Bonds7

About ethyl 3-phenyl-2-(prop-2-enylamino)propanoate

ethyl 3-phenyl-2-(prop-2-enylamino)propanoate (PubChem CID 55063338) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is ethyl 3-phenyl-2-(prop-2-enylamino)propanoate.

Molecular Properties

Compound Nameethyl 3-phenyl-2-(prop-2-enylamino)propanoate
PubChem CID55063338
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Nameethyl 3-phenyl-2-(prop-2-enylamino)propanoate
SMILESC=CCNC(Cc1ccccc1)C(=O)OCC
InChIInChI=1S/C14H19NO2/c1-3-10-15-13(14(16)17-4-2)11-12-8-6-5-7-9-12/h3,5-9,13,15H,1,4,10-11H2,2H3
InChIKeyTWFWCAATTPKCGI-UHFFFAOYSA-N
XLogP1.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (2S)-3-phenyl-2-(prop-2-enylamino)propanoate
CID 102580746
ethyl (2S)-2-formamido-3-phenylpropanoate
CID 10198363
methyl (2S)-2-[[(E)-4-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]but-2-enyl]amino]-3-phenylpropanoate
CID 15499312
benzyl (2S)-2-[[(Z)-4-[[(2S)-1-oxo-3-phenyl-1-phenylmethoxypropan-2-yl]amino]but-2-enyl]amino]-3-phenylpropanoate
CID 101163774
prop-2-enyl 2-(pentanoylamino)-3-phenylpropanoate
CID 67861490
prop-2-enyl 2-acetamido-3-phenylpropanoate
CID 67861806
ethyl (2S)-2-(2-nitropent-4-enoylamino)-3-phenylpropanoate
CID 15126521
ethyl (2S)-2-[2-(1-hydroxyethyl)but-3-enoylamino]-3-phenylpropanoate
CID 135018453
(1-ethoxy-1-oxo-3-phenylpropan-2-yl)carbamodithioic acid
CID 11780574
2-[(1-ethoxy-1-oxo-3-phenylpropan-2-yl)amino]propanoic acid
CID 14036499
ethyl (2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-phenylpropanoate
CID 15546721
ethyl (2S)-3-phenyl-2-[(2-sulfanylacetyl)amino]propanoate
CID 25257147

Frequently Asked Questions

What is the IUPAC name of ethyl 3-phenyl-2-(prop-2-enylamino)propanoate?
The IUPAC name of ethyl 3-phenyl-2-(prop-2-enylamino)propanoate (CID 55063338) is ethyl 3-phenyl-2-(prop-2-enylamino)propanoate.
What is the SMILES notation for ethyl 3-phenyl-2-(prop-2-enylamino)propanoate?
The canonical SMILES for ethyl 3-phenyl-2-(prop-2-enylamino)propanoate is C=CCNC(Cc1ccccc1)C(=O)OCC.
What is the InChIKey of ethyl 3-phenyl-2-(prop-2-enylamino)propanoate?
The InChIKey is TWFWCAATTPKCGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-3-10-15-13(14(16)17-4-2)11-12-8-6-5-7-9-12/h3,5-9,13,15H,1,4,10-11H2,2H3.
What are the key properties of ethyl 3-phenyl-2-(prop-2-enylamino)propanoate?
ethyl 3-phenyl-2-(prop-2-enylamino)propanoate has a molecular weight of 233.31 g/mol, XLogP of 1.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-phenyl-2-(prop-2-enylamino)propanoate is sourced from PubChem (CID 55063338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).