Methyl 3-((tert-butoxycarbonyl)amino)-2-(3-methoxybenzyl)propanoate
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Basic information
- CAS
220117-40-8- Standard SMILES
COC(=O)C(CNC(=O)OC(C)(C)C)Cc1cccc(OC)c1- InChIKey
BMUPTTCIMBBUQJ-UHFFFAOYSA-N- Molecular formula
- C17H25NO5
- Average molar mass
- 323.4 g/mol
- Monoisotopic mass
- 323.1732729
Names & identifiers
- Preferred name
- Methyl 3-((tert-butoxycarbonyl)amino)-2-(3-methoxybenzyl)propanoate
- IUPAC
- methyl 2-[(3-methoxyphenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
- English name
- METHYL 2-N-BOC-2-AMINOMETHYL-3-(3-METHOXY-PHENYL)-PROPIONATE
- Molecular formula
- C17H25NO5
- Molecular weight
- 323.38
Names & synonyms
220117-40-8Methyl 3-((tert-butoxycarbonyl)amino)-2-(3-methoxybenzyl)propanoateMethyl 2-[(3-methoxyphenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoateMethyl 3-[(tert-butoxycarbonyl)amino]-2-(3-methoxybenzyl)propanoatemethyl 3-{[(tert-butoxy)carbonyl]amino}-2-[(3-methoxyphenyl)methyl]propanoateMethyl 2-N-Boc-2-aminomethyl-3-(3-methoxy-phenyl)-propionateDTXSID704422512-(tert-butoxycarbonylamino-methyl)-3-(3-methoxy-phenyl)-propionic acid methyl esterMethyl 2-{[(tert-butoxycarbonyl)amino]methyl}-3-(3-methoxyphenyl)propanoateBenzenepropanoic acid, α-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]-3-methoxy-, methyl ester2-[(3-methoxyphenyl)methyl]-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid methyl esterBenzenepropanoic acid, .alpha.-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]-3-methoxy-, methyl ester
Database identifiers
- CAS
220117-40-8- PubChem CID
- 10592001
- DTXSID
DTXSID70442251
Properties
Computed structural propertiesFilling in
- XLogP
- 2.7
- Topological polar surface area
- 73.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 391
Related reactions
0 records
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Compound notes
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