methyl 2-phenyl-2-(prop-2-enylamino)acetate

C12H15NO2 — CID 21300031

IUPACmethyl 2-phenyl-2-(prop-2-enylamino)acetate
SMILESC=CCNC(C(=O)OC)c1ccccc1
InChIInChI=1S/C12H15NO2/c1-3-9-13-11(12(14)15-2)10-7-5-4-6-8-10/h3-8,11,13H,1,9H2,2H3
InChIKeyCYSPVFXFPJBBIX-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.68
Rot. Bonds5

About methyl 2-phenyl-2-(prop-2-enylamino)acetate

methyl 2-phenyl-2-(prop-2-enylamino)acetate (PubChem CID 21300031) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is methyl 2-phenyl-2-(prop-2-enylamino)acetate.

Molecular Properties

Compound Namemethyl 2-phenyl-2-(prop-2-enylamino)acetate
PubChem CID21300031
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Namemethyl 2-phenyl-2-(prop-2-enylamino)acetate
SMILESC=CCNC(C(=O)OC)c1ccccc1
InChIInChI=1S/C12H15NO2/c1-3-9-13-11(12(14)15-2)10-7-5-4-6-8-10/h3-8,11,13H,1,9H2,2H3
InChIKeyCYSPVFXFPJBBIX-UHFFFAOYSA-N
XLogP1.68
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.68
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

methyl 2-(4-tert-butylphenyl)-2-(prop-2-enylamino)acetate
CID 62355280
methyl 2-(3,5-dichlorophenyl)-2-(prop-2-enylamino)acetate
CID 55063476
methyl 4-phenyl-2-(prop-2-enylamino)pentanoate
CID 62353675
methyl 2-(benzylamino)-2-phenylacetate;hydrochloride
CID 12677532
methyl 2-phenyl-2-(2,2,2-trifluoroethylamino)acetate
CID 60997518
3-[(2-methoxy-2-oxo-1-phenylethyl)amino]-2-methylpropanoic acid
CID 62110684
methyl 2-(benzhydrylamino)-2-phenylacetate
CID 102355499
methyl (2S)-2-[[3-[[[(1S)-2-methoxy-2-oxo-1-phenylethyl]amino]methyl]phenyl]methylamino]-2-phenylacetate
CID 24762008
methyl 2-phenyl-2-prop-2-enoxyacetate
CID 13341026
methyl (2R)-2-phenyl-2-prop-2-enoxyacetate
CID 5324854
methyl 2-[(2,6-dimethylphenyl)methylamino]-2-phenylacetate
CID 78997392
methyl (2S)-2-[(3-oxo-3-phenylpropyl)amino]-2-phenylacetate
CID 11770950

Frequently Asked Questions

What is the IUPAC name of methyl 2-phenyl-2-(prop-2-enylamino)acetate?
The IUPAC name of methyl 2-phenyl-2-(prop-2-enylamino)acetate (CID 21300031) is methyl 2-phenyl-2-(prop-2-enylamino)acetate.
What is the SMILES notation for methyl 2-phenyl-2-(prop-2-enylamino)acetate?
The canonical SMILES for methyl 2-phenyl-2-(prop-2-enylamino)acetate is C=CCNC(C(=O)OC)c1ccccc1.
What is the InChIKey of methyl 2-phenyl-2-(prop-2-enylamino)acetate?
The InChIKey is CYSPVFXFPJBBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-3-9-13-11(12(14)15-2)10-7-5-4-6-8-10/h3-8,11,13H,1,9H2,2H3.
What are the key properties of methyl 2-phenyl-2-(prop-2-enylamino)acetate?
methyl 2-phenyl-2-(prop-2-enylamino)acetate has a molecular weight of 205.26 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-phenyl-2-(prop-2-enylamino)acetate is sourced from PubChem (CID 21300031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).