(3-methoxyphenyl)methyl 2-amino-3-phenylpropanoate

C17H19NO3 — CID 61280030

IUPAC(3-methoxyphenyl)methyl 2-amino-3-phenylpropanoate
SMILESCOc1cccc(COC(=O)C(N)Cc2ccccc2)c1
InChIInChI=1S/C17H19NO3/c1-20-15-9-5-8-14(10-15)12-21-17(19)16(18)11-13-6-3-2-4-7-13/h2-10,16H,11-12,18H2,1H3
InChIKeyWDGGZKICZAGCEF-UHFFFAOYSA-N
MW285.34 g/mol
LogP2.31
Rot. Bonds6

About (3-methoxyphenyl)methyl 2-amino-3-phenylpropanoate

(3-methoxyphenyl)methyl 2-amino-3-phenylpropanoate (PubChem CID 61280030) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is (3-methoxyphenyl)methyl 2-amino-3-phenylpropanoate.

Molecular Properties

Compound Name(3-methoxyphenyl)methyl 2-amino-3-phenylpropanoate
PubChem CID61280030
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name(3-methoxyphenyl)methyl 2-amino-3-phenylpropanoate
SMILESCOc1cccc(COC(=O)C(N)Cc2ccccc2)c1
InChIInChI=1S/C17H19NO3/c1-20-15-9-5-8-14(10-15)12-21-17(19)16(18)11-13-6-3-2-4-7-13/h2-10,16H,11-12,18H2,1H3
InChIKeyWDGGZKICZAGCEF-UHFFFAOYSA-N
XLogP2.31
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 ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methoxyphenyl)methyl 2-amino-3-phenylpropanoate
CID 14760384
(3-methoxyphenyl)methyl 3-phenyl-2-sulfanylpropanoate
CID 107018262
(3-methoxyphenyl)methyl 2-amino-3-methoxypropanoate
CID 81084881
(3-methoxyphenyl)methyl (2R)-2-amino-4-hydroxybutanoate
CID 107825319
(3-methoxyphenyl)methyl 2-amino-2-phenylacetate
CID 61277984
(3-aminophenyl)methyl (2S)-2-amino-3-phenylpropanoate
CID 57184101
methyl 2-amino-3-[4-[(3-methoxyphenyl)methoxy]phenyl]propanoate;hydrochloride
CID 68667398
benzyl (2R)-2-hydroxy-3-(3-methoxyphenyl)propanoate
CID 54541379
(3-methoxyphenyl)methyl (2S)-2-amino-3-methylbutanoate
CID 61277798
(3-methoxyphenyl)methyl 3-amino-2-phenylpropanoate
CID 62879024
[2-[[(2R)-2-amino-3-phenylpropanoyl]oxymethyl]phenyl]methyl (2R)-2-amino-3-phenylpropanoate
CID 102020431
benzyl (2S)-2-amino-3-(4-methylphenyl)propanoate;hydrochloride
CID 139716246

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)methyl 2-amino-3-phenylpropanoate?
The IUPAC name of (3-methoxyphenyl)methyl 2-amino-3-phenylpropanoate (CID 61280030) is (3-methoxyphenyl)methyl 2-amino-3-phenylpropanoate.
What is the SMILES notation for (3-methoxyphenyl)methyl 2-amino-3-phenylpropanoate?
The canonical SMILES for (3-methoxyphenyl)methyl 2-amino-3-phenylpropanoate is COc1cccc(COC(=O)C(N)Cc2ccccc2)c1.
What is the InChIKey of (3-methoxyphenyl)methyl 2-amino-3-phenylpropanoate?
The InChIKey is WDGGZKICZAGCEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-20-15-9-5-8-14(10-15)12-21-17(19)16(18)11-13-6-3-2-4-7-13/h2-10,16H,11-12,18H2,1H3.
What are the key properties of (3-methoxyphenyl)methyl 2-amino-3-phenylpropanoate?
(3-methoxyphenyl)methyl 2-amino-3-phenylpropanoate has a molecular weight of 285.34 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)methyl 2-amino-3-phenylpropanoate is sourced from PubChem (CID 61280030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).