methyl 3-methoxy-2-phenyl-2-(prop-2-enylamino)propanoate

C14H19NO3 — CID 103464935

IUPACmethyl 3-methoxy-2-phenyl-2-(prop-2-enylamino)propanoate
SMILESC=CCNC(COC)(C(=O)OC)c1ccccc1
InChIInChI=1S/C14H19NO3/c1-4-10-15-14(11-17-2,13(16)18-3)12-8-6-5-7-9-12/h4-9,15H,1,10-11H2,2-3H3
InChIKeyYPEAATDUVWRZPG-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.48
Rot. Bonds7

About methyl 3-methoxy-2-phenyl-2-(prop-2-enylamino)propanoate

methyl 3-methoxy-2-phenyl-2-(prop-2-enylamino)propanoate (PubChem CID 103464935) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is methyl 3-methoxy-2-phenyl-2-(prop-2-enylamino)propanoate.

Molecular Properties

Compound Namemethyl 3-methoxy-2-phenyl-2-(prop-2-enylamino)propanoate
PubChem CID103464935
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Namemethyl 3-methoxy-2-phenyl-2-(prop-2-enylamino)propanoate
SMILESC=CCNC(COC)(C(=O)OC)c1ccccc1
InChIInChI=1S/C14H19NO3/c1-4-10-15-14(11-17-2,13(16)18-3)12-8-6-5-7-9-12/h4-9,15H,1,10-11H2,2-3H3
InChIKeyYPEAATDUVWRZPG-UHFFFAOYSA-N
XLogP1.48
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 3-methoxy-2-phenyl-2-(prop-2-enylamino)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-methoxy-2-phenyl-2-(2,2,2-trifluoroethylamino)propanoate
CID 103464928
methyl 2-cyclopropyl-2-phenyl-2-(prop-2-enylamino)acetate
CID 115002579
methyl (2R)-2-(4-aminophenyl)-2-phenyl-2-(prop-2-enylamino)acetate
CID 135143039
3-methoxy-2-(4-methylanilino)-2-phenylpropanoic acid
CID 103464838
methyl (2S)-2-phenyl-2-prop-2-enoxypent-4-enoate
CID 101079952
butanedioic acid;bis(2-phenyl-N-prop-2-enylpropan-2-amine)
CID 173249762
methyl 2-(benzylamino)-2,3-diphenylpropanoate
CID 113225267
methyl 2-[2-(dimethylamino)ethylamino]-4-methyl-2-phenylpentanoate
CID 61002861
methyl 4-methyl-2-phenyl-2-(prop-2-ynylamino)pentanoate
CID 62365289
methyl 2-phenyl-2-(propan-2-ylamino)butanoate
CID 60786838
methyl (2R)-2-(methoxymethyl)-2-methyl-3-trityloxypropanoate
CID 124849278
3-methoxy-2-(2-methylanilino)-2-phenylpropanoic acid
CID 103464846

Frequently Asked Questions

What is the IUPAC name of methyl 3-methoxy-2-phenyl-2-(prop-2-enylamino)propanoate?
The IUPAC name of methyl 3-methoxy-2-phenyl-2-(prop-2-enylamino)propanoate (CID 103464935) is methyl 3-methoxy-2-phenyl-2-(prop-2-enylamino)propanoate.
What is the SMILES notation for methyl 3-methoxy-2-phenyl-2-(prop-2-enylamino)propanoate?
The canonical SMILES for methyl 3-methoxy-2-phenyl-2-(prop-2-enylamino)propanoate is C=CCNC(COC)(C(=O)OC)c1ccccc1.
What is the InChIKey of methyl 3-methoxy-2-phenyl-2-(prop-2-enylamino)propanoate?
The InChIKey is YPEAATDUVWRZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-4-10-15-14(11-17-2,13(16)18-3)12-8-6-5-7-9-12/h4-9,15H,1,10-11H2,2-3H3.
What are the key properties of methyl 3-methoxy-2-phenyl-2-(prop-2-enylamino)propanoate?
methyl 3-methoxy-2-phenyl-2-(prop-2-enylamino)propanoate has a molecular weight of 249.31 g/mol, XLogP of 1.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methoxy-2-phenyl-2-(prop-2-enylamino)propanoate is sourced from PubChem (CID 103464935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).