methyl (3R)-3-amino-3-(2-phenylmethoxyphenyl)propanoate

C17H19NO3 — CID 171251115

IUPACmethyl (3R)-3-amino-3-(2-phenylmethoxyphenyl)propanoate
SMILESCOC(=O)C[C@@H](N)c1ccccc1OCc1ccccc1
InChIInChI=1S/C17H19NO3/c1-20-17(19)11-15(18)14-9-5-6-10-16(14)21-12-13-7-3-2-4-8-13/h2-10,15H,11-12,18H2,1H3/t15-/m1/s1
InChIKeyLMLYZNFNTLMCSU-OAHLLOKOSA-N
MW285.34 g/mol
LogP2.83
Rot. Bonds6

About methyl (3R)-3-amino-3-(2-phenylmethoxyphenyl)propanoate

methyl (3R)-3-amino-3-(2-phenylmethoxyphenyl)propanoate (PubChem CID 171251115) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is methyl (3R)-3-amino-3-(2-phenylmethoxyphenyl)propanoate.

Molecular Properties

Compound Namemethyl (3R)-3-amino-3-(2-phenylmethoxyphenyl)propanoate
PubChem CID171251115
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Namemethyl (3R)-3-amino-3-(2-phenylmethoxyphenyl)propanoate
SMILESCOC(=O)C[C@@H](N)c1ccccc1OCc1ccccc1
InChIInChI=1S/C17H19NO3/c1-20-17(19)11-15(18)14-9-5-6-10-16(14)21-12-13-7-3-2-4-8-13/h2-10,15H,11-12,18H2,1H3/t15-/m1/s1
InChIKeyLMLYZNFNTLMCSU-OAHLLOKOSA-N
XLogP2.83
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (3R)-3-amino-3-(2-phenylmethoxyphenyl)propanoate;hydrochloride
CID 171214311
methyl 2-(2-phenylmethoxyphenyl)propanoate
CID 54327103
2-amino-2-(2-phenylmethoxyphenyl)ethanol
CID 77130440
methyl 3-hydroxy-2-(2-phenylmethoxyphenyl)butanoate
CID 11990868
methyl (3R)-3-amino-3-[2-(trifluoromethoxy)phenyl]propanoate;hydrochloride
CID 171249783
methyl (3S)-3-amino-3-[2-(trifluoromethoxy)phenyl]propanoate;hydrochloride
CID 171243050
methyl (3R)-3-amino-3-(2,3-dimethoxyphenyl)propanoate
CID 7175981
methyl (3S)-3-amino-3-(2-hydroxy-3-methoxyphenyl)propanoate;hydrochloride
CID 171243705
propyl 3-hydroxy-3-(2-phenylmethoxyphenyl)propanoate
CID 54420934
ethyl (3S)-3-amino-3-(2-methoxyphenyl)propanoate;hydrochloride
CID 171220006
(2R)-2-(2-phenylmethoxyphenyl)propanoic acid
CID 129363475
(1S)-1-(2-phenylmethoxyphenyl)ethanamine;hydrochloride
CID 71758033

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3-amino-3-(2-phenylmethoxyphenyl)propanoate?
The IUPAC name of methyl (3R)-3-amino-3-(2-phenylmethoxyphenyl)propanoate (CID 171251115) is methyl (3R)-3-amino-3-(2-phenylmethoxyphenyl)propanoate.
What is the SMILES notation for methyl (3R)-3-amino-3-(2-phenylmethoxyphenyl)propanoate?
The canonical SMILES for methyl (3R)-3-amino-3-(2-phenylmethoxyphenyl)propanoate is COC(=O)C[C@@H](N)c1ccccc1OCc1ccccc1.
What is the InChIKey of methyl (3R)-3-amino-3-(2-phenylmethoxyphenyl)propanoate?
The InChIKey is LMLYZNFNTLMCSU-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H19NO3/c1-20-17(19)11-15(18)14-9-5-6-10-16(14)21-12-13-7-3-2-4-8-13/h2-10,15H,11-12,18H2,1H3/t15-/m1/s1.
What are the key properties of methyl (3R)-3-amino-3-(2-phenylmethoxyphenyl)propanoate?
methyl (3R)-3-amino-3-(2-phenylmethoxyphenyl)propanoate has a molecular weight of 285.34 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-3-amino-3-(2-phenylmethoxyphenyl)propanoate is sourced from PubChem (CID 171251115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).