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

C17H19NO3 — CID 14760384

IUPAC(4-methoxyphenyl)methyl 2-amino-3-phenylpropanoate
SMILESCOc1ccc(COC(=O)C(N)Cc2ccccc2)cc1
InChIInChI=1S/C17H19NO3/c1-20-15-9-7-14(8-10-15)12-21-17(19)16(18)11-13-5-3-2-4-6-13/h2-10,16H,11-12,18H2,1H3
InChIKeyOYDUGFAANVVGFM-UHFFFAOYSA-N
MW285.34 g/mol
LogP2.31
Rot. Bonds6

About (4-methoxyphenyl)methyl 2-amino-3-phenylpropanoate

(4-methoxyphenyl)methyl 2-amino-3-phenylpropanoate (PubChem CID 14760384) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is (4-methoxyphenyl)methyl 2-amino-3-phenylpropanoate.

Molecular Properties

Compound Name(4-methoxyphenyl)methyl 2-amino-3-phenylpropanoate
PubChem CID14760384
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name(4-methoxyphenyl)methyl 2-amino-3-phenylpropanoate
SMILESCOc1ccc(COC(=O)C(N)Cc2ccccc2)cc1
InChIInChI=1S/C17H19NO3/c1-20-15-9-7-14(8-10-15)12-21-17(19)16(18)11-13-5-3-2-4-6-13/h2-10,16H,11-12,18H2,1H3
InChIKeyOYDUGFAANVVGFM-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

(3-methoxyphenyl)methyl 2-amino-3-phenylpropanoate
CID 61280030
benzyl 2-amino-3-(4-ethoxyphenyl)propanoate
CID 19804808
benzyl (2S)-2-amino-3-(4-methylphenyl)propanoate;hydrochloride
CID 139716246
(4-methoxyphenyl)methyl (2S)-2-amino-3-hydroxypropanoate
CID 61303513
benzyl (2S)-2-amino-3-(4-naphthalen-2-ylphenyl)propanoate
CID 54235669
benzyl (2S)-2-amino-3-[4-(2-ethoxy-2-oxoethoxy)phenyl]propanoate
CID 139716314
(4-methoxyphenyl)methyl 2-amino-3-sulfanylpropanoate
CID 61304102
benzyl (2S)-2-[(4-methoxyphenyl)methylamino]-3-phenylpropanoate
CID 10690881
methyl 2-amino-3-(4-methoxyphenyl)propanoate chloride
CID 162332781
(2S)-2-amino-3-(4-methoxyphenyl)propanoic acid;hydrochloride
CID 24802313
benzyl (2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-(4-methoxyphenyl)propanoate
CID 130394596
(4-methoxyphenyl)methyl (2S)-2-amino-4-methylpentanoate
CID 61303711

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)methyl 2-amino-3-phenylpropanoate?
The IUPAC name of (4-methoxyphenyl)methyl 2-amino-3-phenylpropanoate (CID 14760384) is (4-methoxyphenyl)methyl 2-amino-3-phenylpropanoate.
What is the SMILES notation for (4-methoxyphenyl)methyl 2-amino-3-phenylpropanoate?
The canonical SMILES for (4-methoxyphenyl)methyl 2-amino-3-phenylpropanoate is COc1ccc(COC(=O)C(N)Cc2ccccc2)cc1.
What is the InChIKey of (4-methoxyphenyl)methyl 2-amino-3-phenylpropanoate?
The InChIKey is OYDUGFAANVVGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-20-15-9-7-14(8-10-15)12-21-17(19)16(18)11-13-5-3-2-4-6-13/h2-10,16H,11-12,18H2,1H3.
What are the key properties of (4-methoxyphenyl)methyl 2-amino-3-phenylpropanoate?
(4-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 (4-methoxyphenyl)methyl 2-amino-3-phenylpropanoate is sourced from PubChem (CID 14760384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).