methyl 2-(2-fluoro-6-methoxyphenyl)-2-(prop-2-enylamino)propanoate

C14H18FNO3 — CID 113388820

IUPACmethyl 2-(2-fluoro-6-methoxyphenyl)-2-(prop-2-enylamino)propanoate
SMILESC=CCNC(C)(C(=O)OC)c1c(F)cccc1OC
InChIInChI=1S/C14H18FNO3/c1-5-9-16-14(2,13(17)19-4)12-10(15)7-6-8-11(12)18-3/h5-8,16H,1,9H2,2-4H3
InChIKeyRUMDPTRJQOTBHZ-UHFFFAOYSA-N
MW267.30 g/mol
LogP2.00
Rot. Bonds6

About methyl 2-(2-fluoro-6-methoxyphenyl)-2-(prop-2-enylamino)propanoate

methyl 2-(2-fluoro-6-methoxyphenyl)-2-(prop-2-enylamino)propanoate (PubChem CID 113388820) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is methyl 2-(2-fluoro-6-methoxyphenyl)-2-(prop-2-enylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-(2-fluoro-6-methoxyphenyl)-2-(prop-2-enylamino)propanoate
PubChem CID113388820
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC Namemethyl 2-(2-fluoro-6-methoxyphenyl)-2-(prop-2-enylamino)propanoate
SMILESC=CCNC(C)(C(=O)OC)c1c(F)cccc1OC
InChIInChI=1S/C14H18FNO3/c1-5-9-16-14(2,13(17)19-4)12-10(15)7-6-8-11(12)18-3/h5-8,16H,1,9H2,2-4H3
InChIKeyRUMDPTRJQOTBHZ-UHFFFAOYSA-N
XLogP2.00
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 2-(2-fluoro-6-methoxyphenyl)-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

2-(2,6-difluorophenyl)-2-(prop-2-enylamino)propanoic acid
CID 61341231
methyl 2-(5-bromo-2-fluorophenyl)-2-(prop-2-enylamino)propanoate
CID 82967568
methyl 2-(2,6-difluorophenyl)-2-[2-(dimethylamino)ethylamino]propanoate
CID 61001791
methyl 2-(2,6-difluorophenyl)-2-(2-methylpropylamino)propanoate
CID 54895287
ethyl 2-(2-fluorophenyl)-2-(prop-2-enylamino)propanoate
CID 55063479
3-(2-fluoro-6-methoxyphenyl)-3-methylbutanoic acid
CID 117325215
2-(butan-2-ylamino)-2-(2-fluoro-6-methoxyphenyl)propanamide
CID 113388819
methyl 2-(2-fluoro-8-methoxynaphthalen-1-yl)-2-methylpropanoate
CID 623921
2-(2-methoxy-5-methylphenyl)-2-(prop-2-enylamino)propanoic acid
CID 61341396
2,6-dimethoxy-N-prop-2-enylbenzamide
CID 3569670
methyl 2-(prop-2-enylamino)-2-(1,3-thiazol-2-yl)propanoate
CID 64990575
4-amino-2-(2-fluoro-6-methoxyphenyl)-3,3-dimethylbutan-2-ol
CID 113389409

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-fluoro-6-methoxyphenyl)-2-(prop-2-enylamino)propanoate?
The IUPAC name of methyl 2-(2-fluoro-6-methoxyphenyl)-2-(prop-2-enylamino)propanoate (CID 113388820) is methyl 2-(2-fluoro-6-methoxyphenyl)-2-(prop-2-enylamino)propanoate.
What is the SMILES notation for methyl 2-(2-fluoro-6-methoxyphenyl)-2-(prop-2-enylamino)propanoate?
The canonical SMILES for methyl 2-(2-fluoro-6-methoxyphenyl)-2-(prop-2-enylamino)propanoate is C=CCNC(C)(C(=O)OC)c1c(F)cccc1OC.
What is the InChIKey of methyl 2-(2-fluoro-6-methoxyphenyl)-2-(prop-2-enylamino)propanoate?
The InChIKey is RUMDPTRJQOTBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO3/c1-5-9-16-14(2,13(17)19-4)12-10(15)7-6-8-11(12)18-3/h5-8,16H,1,9H2,2-4H3.
What are the key properties of methyl 2-(2-fluoro-6-methoxyphenyl)-2-(prop-2-enylamino)propanoate?
methyl 2-(2-fluoro-6-methoxyphenyl)-2-(prop-2-enylamino)propanoate has a molecular weight of 267.30 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-fluoro-6-methoxyphenyl)-2-(prop-2-enylamino)propanoate is sourced from PubChem (CID 113388820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).