methyl 2-amino-3-[4-methoxy-3-[(4-methylphenoxy)methyl]phenyl]propanoate

C19H23NO4 — CID 170883906

IUPACmethyl 2-amino-3-[4-methoxy-3-[(4-methylphenoxy)methyl]phenyl]propanoate
SMILESCOC(=O)C(N)Cc1ccc(OC)c(COc2ccc(C)cc2)c1
InChIInChI=1S/C19H23NO4/c1-13-4-7-16(8-5-13)24-12-15-10-14(6-9-18(15)22-2)11-17(20)19(21)23-3/h4-10,17H,11-12,20H2,1-3H3
InChIKeyOGCVIHDEYQNRRM-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.63
Rot. Bonds7

About methyl 2-amino-3-[4-methoxy-3-[(4-methylphenoxy)methyl]phenyl]propanoate

methyl 2-amino-3-[4-methoxy-3-[(4-methylphenoxy)methyl]phenyl]propanoate (PubChem CID 170883906) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is methyl 2-amino-3-[4-methoxy-3-[(4-methylphenoxy)methyl]phenyl]propanoate.

Molecular Properties

Compound Namemethyl 2-amino-3-[4-methoxy-3-[(4-methylphenoxy)methyl]phenyl]propanoate
PubChem CID170883906
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC Namemethyl 2-amino-3-[4-methoxy-3-[(4-methylphenoxy)methyl]phenyl]propanoate
SMILESCOC(=O)C(N)Cc1ccc(OC)c(COc2ccc(C)cc2)c1
InChIInChI=1S/C19H23NO4/c1-13-4-7-16(8-5-13)24-12-15-10-14(6-9-18(15)22-2)11-17(20)19(21)23-3/h4-10,17H,11-12,20H2,1-3H3
InChIKeyOGCVIHDEYQNRRM-UHFFFAOYSA-N
XLogP2.63
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-amino-3-[4-methoxy-3-[(4-methylphenoxy)methyl]phenyl]propanoate
CID 170885406
methyl 3-[3-(acetyloxymethyl)-4-methoxyphenyl]-2-aminopropanoate
CID 170883870
2-amino-3-[4-methoxy-3-[(4-phenylphenoxy)methyl]phenyl]propanoic acid
CID 170879962
2-amino-3-[4-methoxy-3-[(4-propan-2-ylphenoxy)methyl]phenyl]propanoic acid
CID 170879741
ethyl 2-amino-3-[3-[(2-chloro-4-methylphenoxy)methyl]-4-methoxyphenyl]propanoate
CID 170885623
1-[4-[(2-methoxy-5-methylphenyl)methoxy]phenyl]ethanone
CID 60661065
methyl (2R)-2-amino-3-(4-methylphenyl)propanoate;hydrochloride
CID 54763157
1-[3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]propan-2-amine
CID 170864749
methyl 2-amino-3-[4-(4-methylphenyl)phenyl]propanoate
CID 57296251
ethyl 2-amino-3-[3-[(2,4-dichlorophenoxy)methyl]-4-methoxyphenyl]propanoate
CID 165351321
methyl 2-amino-3-[3-methoxy-4-(2-methoxyethoxy)phenyl]propanoate
CID 170884561
methyl (2R)-2-amino-3-(3,4-dimethylphenyl)propanoate
CID 145416225

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-[4-methoxy-3-[(4-methylphenoxy)methyl]phenyl]propanoate?
The IUPAC name of methyl 2-amino-3-[4-methoxy-3-[(4-methylphenoxy)methyl]phenyl]propanoate (CID 170883906) is methyl 2-amino-3-[4-methoxy-3-[(4-methylphenoxy)methyl]phenyl]propanoate.
What is the SMILES notation for methyl 2-amino-3-[4-methoxy-3-[(4-methylphenoxy)methyl]phenyl]propanoate?
The canonical SMILES for methyl 2-amino-3-[4-methoxy-3-[(4-methylphenoxy)methyl]phenyl]propanoate is COC(=O)C(N)Cc1ccc(OC)c(COc2ccc(C)cc2)c1.
What is the InChIKey of methyl 2-amino-3-[4-methoxy-3-[(4-methylphenoxy)methyl]phenyl]propanoate?
The InChIKey is OGCVIHDEYQNRRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4/c1-13-4-7-16(8-5-13)24-12-15-10-14(6-9-18(15)22-2)11-17(20)19(21)23-3/h4-10,17H,11-12,20H2,1-3H3.
What are the key properties of methyl 2-amino-3-[4-methoxy-3-[(4-methylphenoxy)methyl]phenyl]propanoate?
methyl 2-amino-3-[4-methoxy-3-[(4-methylphenoxy)methyl]phenyl]propanoate has a molecular weight of 329.40 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-[4-methoxy-3-[(4-methylphenoxy)methyl]phenyl]propanoate is sourced from PubChem (CID 170883906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).