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

C17H19NO3 — CID 62879024

IUPAC(3-methoxyphenyl)methyl 3-amino-2-phenylpropanoate
SMILESCOc1cccc(COC(=O)C(CN)c2ccccc2)c1
InChIInChI=1S/C17H19NO3/c1-20-15-9-5-6-13(10-15)12-21-17(19)16(11-18)14-7-3-2-4-8-14/h2-10,16H,11-12,18H2,1H3
InChIKeyFIXRIJWZLDGJIA-UHFFFAOYSA-N
MW285.34 g/mol
LogP2.48
Rot. Bonds6

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

(3-methoxyphenyl)methyl 3-amino-2-phenylpropanoate (PubChem CID 62879024) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is (3-methoxyphenyl)methyl 3-amino-2-phenylpropanoate.

Molecular Properties

Compound Name(3-methoxyphenyl)methyl 3-amino-2-phenylpropanoate
PubChem CID62879024
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name(3-methoxyphenyl)methyl 3-amino-2-phenylpropanoate
SMILESCOc1cccc(COC(=O)C(CN)c2ccccc2)c1
InChIInChI=1S/C17H19NO3/c1-20-15-9-5-6-13(10-15)12-21-17(19)16(11-18)14-7-3-2-4-8-14/h2-10,16H,11-12,18H2,1H3
InChIKeyFIXRIJWZLDGJIA-UHFFFAOYSA-N
XLogP2.48
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 ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-methoxyphenyl)methyl 2-amino-2-phenylacetate
CID 61277984
(3-methoxyphenyl)methyl 2-amino-3-phenylpropanoate
CID 61280030
benzyl (2R)-2-hydroxy-3-(3-methoxyphenyl)propanoate
CID 54541379
(3-methoxyphenyl)methyl 3-phenyl-2-sulfanylpropanoate
CID 107018262
(2R)-4-(3-methoxyphenyl)-2-phenylbutanoic acid
CID 95561857
(3-methoxyphenyl)methyl (2S)-2-amino-3-methylbutanoate
CID 61277798
(2S)-2,3-bis(3-methoxyphenyl)propanoic acid
CID 42051269
(3-methoxyphenyl)methyl 2-amino-3-methoxypropanoate
CID 81084881
(3-methoxyphenyl)methyl 2-hydroxyprop-2-enoate
CID 174537082
methyl (2R)-3-amino-2-phenylpropanoate
CID 7183129
methyl 2-(3-methoxyphenyl)-3-phenylpropanoate
CID 21257567
(3-methoxyphenyl)methyl (2R)-2-amino-4-hydroxybutanoate
CID 107825319

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)methyl 3-amino-2-phenylpropanoate?
The IUPAC name of (3-methoxyphenyl)methyl 3-amino-2-phenylpropanoate (CID 62879024) is (3-methoxyphenyl)methyl 3-amino-2-phenylpropanoate.
What is the SMILES notation for (3-methoxyphenyl)methyl 3-amino-2-phenylpropanoate?
The canonical SMILES for (3-methoxyphenyl)methyl 3-amino-2-phenylpropanoate is COc1cccc(COC(=O)C(CN)c2ccccc2)c1.
What is the InChIKey of (3-methoxyphenyl)methyl 3-amino-2-phenylpropanoate?
The InChIKey is FIXRIJWZLDGJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-20-15-9-5-6-13(10-15)12-21-17(19)16(11-18)14-7-3-2-4-8-14/h2-10,16H,11-12,18H2,1H3.
What are the key properties of (3-methoxyphenyl)methyl 3-amino-2-phenylpropanoate?
(3-methoxyphenyl)methyl 3-amino-2-phenylpropanoate has a molecular weight of 285.34 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)methyl 3-amino-2-phenylpropanoate is sourced from PubChem (CID 62879024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).