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

C13H17NO2 — CID 115328198

IUPACmethyl 2-(2-phenylprop-2-enylamino)propanoate
SMILESC=C(CNC(C)C(=O)OC)c1ccccc1
InChIInChI=1S/C13H17NO2/c1-10(12-7-5-4-6-8-12)9-14-11(2)13(15)16-3/h4-8,11,14H,1,9H2,2-3H3
InChIKeyCKYBHCBFMKQSJJ-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.85
Rot. Bonds5

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

methyl 2-(2-phenylprop-2-enylamino)propanoate (PubChem CID 115328198) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is methyl 2-(2-phenylprop-2-enylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-(2-phenylprop-2-enylamino)propanoate
PubChem CID115328198
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Namemethyl 2-(2-phenylprop-2-enylamino)propanoate
SMILESC=C(CNC(C)C(=O)OC)c1ccccc1
InChIInChI=1S/C13H17NO2/c1-10(12-7-5-4-6-8-12)9-14-11(2)13(15)16-3/h4-8,11,14H,1,9H2,2-3H3
InChIKeyCKYBHCBFMKQSJJ-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-(2-phenylprop-2-enyl)butan-2-amine
CID 81332865
3-ethyl-N-(2-phenylprop-2-enyl)pentan-2-amine
CID 113288163
ethane;methyl 2-(benzylamino)propanoate
CID 91349755
methyl (2S)-2-benzamidopropanoate
CID 6364617
methyl 2-[[2-(2-bromoanilino)-2-oxoethyl]amino]propanoate
CID 60691142
3-phenylbut-3-enoic acid
CID 10702134
methyl (2S)-2-[(2-hydroxyphenyl)methylamino]propanoate
CID 43723616
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-phenylprop-2-en-1-amine
CID 115328414
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-phenylprop-2-en-1-amine
CID 115328410
methyl 2-(2-phenylsulfanylethylamino)propanoate
CID 20791940
methyl 2-(3-phenylprop-2-enylamino)propanoate
CID 78989064
methyl 2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanoate
CID 60691190

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-phenylprop-2-enylamino)propanoate?
The IUPAC name of methyl 2-(2-phenylprop-2-enylamino)propanoate (CID 115328198) is methyl 2-(2-phenylprop-2-enylamino)propanoate.
What is the SMILES notation for methyl 2-(2-phenylprop-2-enylamino)propanoate?
The canonical SMILES for methyl 2-(2-phenylprop-2-enylamino)propanoate is C=C(CNC(C)C(=O)OC)c1ccccc1.
What is the InChIKey of methyl 2-(2-phenylprop-2-enylamino)propanoate?
The InChIKey is CKYBHCBFMKQSJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-10(12-7-5-4-6-8-12)9-14-11(2)13(15)16-3/h4-8,11,14H,1,9H2,2-3H3.
What are the key properties of methyl 2-(2-phenylprop-2-enylamino)propanoate?
methyl 2-(2-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-(2-phenylprop-2-enylamino)propanoate is sourced from PubChem (CID 115328198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).