tert-butyl 3-(2-methoxyanilino)propanoate

C14H21NO3 — CID 103231727

IUPACtert-butyl 3-(2-methoxyanilino)propanoate
SMILESCOc1ccccc1NCCC(=O)OC(C)(C)C
InChIInChI=1S/C14H21NO3/c1-14(2,3)18-13(16)9-10-15-11-7-5-6-8-12(11)17-4/h5-8,15H,9-10H2,1-4H3
InChIKeyOYHYKFUKTVPCBQ-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.84
Rot. Bonds5

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

tert-butyl 3-(2-methoxyanilino)propanoate (PubChem CID 103231727) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is tert-butyl 3-(2-methoxyanilino)propanoate.

Molecular Properties

Compound Nametert-butyl 3-(2-methoxyanilino)propanoate
PubChem CID103231727
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Nametert-butyl 3-(2-methoxyanilino)propanoate
SMILESCOc1ccccc1NCCC(=O)OC(C)(C)C
InChIInChI=1S/C14H21NO3/c1-14(2,3)18-13(16)9-10-15-11-7-5-6-8-12(11)17-4/h5-8,15H,9-10H2,1-4H3
InChIKeyOYHYKFUKTVPCBQ-UHFFFAOYSA-N
XLogP2.84
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 3-(2-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-(2-methoxyphenyl)ethylamino]propanoate
CID 106261776
tert-butyl 7-[[amino-(2-methoxyanilino)methylidene]amino]heptanoate
CID 111811346
[2-(2-methoxyanilino)-2-oxoethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 8734254
tert-butyl 3-(2-methoxyphenyl)sulfanylpropanoate
CID 113227654
tert-butyl 3-(2-fluoro-5-methoxyanilino)propanoate
CID 103257490
N-benzyl-3-(2-methoxyanilino)propanamide
CID 109018840
N-butyl-3-(2-methoxyanilino)propanamide
CID 109012291
methyl 3-(2-methylanilino)propanoate
CID 12805940
tert-butyl 3-(benzylamino)propanoate
CID 10776134
N-(2,3-dimethylphenyl)-3-(2-methoxyanilino)propanamide
CID 8893151
tert-butyl 3-(pyrimidin-2-ylamino)propanoate
CID 141113338

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(2-methoxyanilino)propanoate?
The IUPAC name of tert-butyl 3-(2-methoxyanilino)propanoate (CID 103231727) is tert-butyl 3-(2-methoxyanilino)propanoate.
What is the SMILES notation for tert-butyl 3-(2-methoxyanilino)propanoate?
The canonical SMILES for tert-butyl 3-(2-methoxyanilino)propanoate is COc1ccccc1NCCC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 3-(2-methoxyanilino)propanoate?
The InChIKey is OYHYKFUKTVPCBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-14(2,3)18-13(16)9-10-15-11-7-5-6-8-12(11)17-4/h5-8,15H,9-10H2,1-4H3.
What are the key properties of tert-butyl 3-(2-methoxyanilino)propanoate?
tert-butyl 3-(2-methoxyanilino)propanoate has a molecular weight of 251.33 g/mol, XLogP of 2.84, 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-methoxyanilino)propanoate is sourced from PubChem (CID 103231727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).