tert-butyl 3-(2-fluoro-5-methoxyanilino)propanoate

C14H20FNO3 — CID 103257490

IUPACtert-butyl 3-(2-fluoro-5-methoxyanilino)propanoate
SMILESCOc1ccc(F)c(NCCC(=O)OC(C)(C)C)c1
InChIInChI=1S/C14H20FNO3/c1-14(2,3)19-13(17)7-8-16-12-9-10(18-4)5-6-11(12)15/h5-6,9,16H,7-8H2,1-4H3
InChIKeyCRMYBAVNBNXVKM-UHFFFAOYSA-N
MW269.32 g/mol
LogP2.98
Rot. Bonds5

About tert-butyl 3-(2-fluoro-5-methoxyanilino)propanoate

tert-butyl 3-(2-fluoro-5-methoxyanilino)propanoate (PubChem CID 103257490) has the molecular formula C14H20FNO3 and a molecular weight of 269.32 g/mol. Its IUPAC name is tert-butyl 3-(2-fluoro-5-methoxyanilino)propanoate.

Molecular Properties

Compound Nametert-butyl 3-(2-fluoro-5-methoxyanilino)propanoate
PubChem CID103257490
Molecular FormulaC14H20FNO3
Molecular Weight269.32 g/mol
Exact Mass269.14
IUPAC Nametert-butyl 3-(2-fluoro-5-methoxyanilino)propanoate
SMILESCOc1ccc(F)c(NCCC(=O)OC(C)(C)C)c1
InChIInChI=1S/C14H20FNO3/c1-14(2,3)19-13(17)7-8-16-12-9-10(18-4)5-6-11(12)15/h5-6,9,16H,7-8H2,1-4H3
InChIKeyCRMYBAVNBNXVKM-UHFFFAOYSA-N
XLogP2.98
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 3-(2-fluoro-5-methoxyanilino)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

tert-butyl 3-(2-fluoroanilino)propanoate
CID 19023587
tert-butyl 3-(2-methoxyanilino)propanoate
CID 103231727
tert-butyl N-[4-amino-3-(2-fluoro-5-methoxyanilino)butyl]carbamate
CID 102730346
2-fluoro-5-methoxy-N-(4-methylsulfanylbutyl)aniline
CID 103088164
methyl 4-(2,5-difluoroanilino)butanoate
CID 43377845
2-(aminomethyl)-N-(2-fluoro-5-methoxyphenyl)-2-methylbutanamide
CID 113270112
3-[(2-fluoro-5-methoxyphenyl)carbamoylamino]-2,2-dimethylpropanoic acid
CID 115428951
methyl 2-(2-fluoro-4-methoxyanilino)acetate
CID 82539689
ethyl 3-(5-chloro-2-fluoroanilino)propanoate
CID 43438452
tert-butyl N-[2-(2-bromo-5-methoxyanilino)ethyl]carbamate
CID 115877169
methyl 4-[2-fluoro-5-(trifluoromethyl)anilino]butanoate
CID 55145548
1-N',2-N'-bis(2-fluoro-5-methoxyphenyl)ethanedihydrazide
CID 138619993

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(2-fluoro-5-methoxyanilino)propanoate?
The IUPAC name of tert-butyl 3-(2-fluoro-5-methoxyanilino)propanoate (CID 103257490) is tert-butyl 3-(2-fluoro-5-methoxyanilino)propanoate.
What is the SMILES notation for tert-butyl 3-(2-fluoro-5-methoxyanilino)propanoate?
The canonical SMILES for tert-butyl 3-(2-fluoro-5-methoxyanilino)propanoate is COc1ccc(F)c(NCCC(=O)OC(C)(C)C)c1.
What is the InChIKey of tert-butyl 3-(2-fluoro-5-methoxyanilino)propanoate?
The InChIKey is CRMYBAVNBNXVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO3/c1-14(2,3)19-13(17)7-8-16-12-9-10(18-4)5-6-11(12)15/h5-6,9,16H,7-8H2,1-4H3.
What are the key properties of tert-butyl 3-(2-fluoro-5-methoxyanilino)propanoate?
tert-butyl 3-(2-fluoro-5-methoxyanilino)propanoate has a molecular weight of 269.32 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(2-fluoro-5-methoxyanilino)propanoate is sourced from PubChem (CID 103257490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).