methyl 2-amino-3-[4-[(3-methoxyphenyl)methoxy]phenyl]propanoate;hydrochloride

C18H22ClNO4 — CID 68667398

IUPACmethyl 2-amino-3-[4-[(3-methoxyphenyl)methoxy]phenyl]propanoate;hydrochloride
SMILESCOC(=O)C(N)Cc1ccc(OCc2cccc(OC)c2)cc1.Cl
InChIInChI=1S/C18H21NO4.ClH/c1-21-16-5-3-4-14(10-16)12-23-15-8-6-13(7-9-15)11-17(19)18(20)22-2;/h3-10,17H,11-12,19H2,1-2H3;1H
InChIKeyCHQQDVAHLBYOFU-UHFFFAOYSA-N
MW351.83 g/mol
LogP2.74
Rot. Bonds7

About methyl 2-amino-3-[4-[(3-methoxyphenyl)methoxy]phenyl]propanoate;hydrochloride

methyl 2-amino-3-[4-[(3-methoxyphenyl)methoxy]phenyl]propanoate;hydrochloride (PubChem CID 68667398) has the molecular formula C18H22ClNO4 and a molecular weight of 351.83 g/mol. Its IUPAC name is methyl 2-amino-3-[4-[(3-methoxyphenyl)methoxy]phenyl]propanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-amino-3-[4-[(3-methoxyphenyl)methoxy]phenyl]propanoate;hydrochloride
PubChem CID68667398
Molecular FormulaC18H22ClNO4
Molecular Weight351.83 g/mol
Exact Mass351.12
IUPAC Namemethyl 2-amino-3-[4-[(3-methoxyphenyl)methoxy]phenyl]propanoate;hydrochloride
SMILESCOC(=O)C(N)Cc1ccc(OCc2cccc(OC)c2)cc1.Cl
InChIInChI=1S/C18H21NO4.ClH/c1-21-16-5-3-4-14(10-16)12-23-15-8-6-13(7-9-15)11-17(19)18(20)22-2;/h3-10,17H,11-12,19H2,1-2H3;1H
InChIKeyCHQQDVAHLBYOFU-UHFFFAOYSA-N
XLogP2.74
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.83
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-amino-3-[4-[(3-methoxyphenyl)methoxy]phenyl]propanoate;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-methoxyphenyl)methyl 2-amino-3-phenylpropanoate
CID 61280030
methyl 2-amino-3-(4-methoxyphenyl)propanoate chloride
CID 162332781
methyl 2-amino-3-[4-[(2,6-dichlorophenyl)methoxy]phenyl]propanoate
CID 22386629
methyl (2S)-2-amino-3-(6-methoxynaphthalen-2-yl)propanoate
CID 171238349
2-[1-[4-[(3-methoxyphenyl)methoxy]phenyl]propan-2-yl-methylamino]acetic acid;hydrochloride
CID 121482370
methyl 2-amino-3-[3-[(2,6-dichlorophenyl)methoxy]phenyl]propanoate
CID 22624503
methyl 2-amino-3-phenylpropanoate;dihydrochloride
CID 174427349
methyl (2S)-2-amino-3-(3-propan-2-yloxyphenyl)propanoate
CID 171238413
methyl 2-amino-3-[4-(2-oxopropoxy)phenyl]propanoate
CID 143703835
(3-methoxyphenyl)methyl 2-amino-3-methoxypropanoate
CID 81084881
methyl 2-amino-3-[3-(trifluoromethoxy)phenyl]propanoate;hydrochloride
CID 131841403
2-amino-1-[4-[(3-methoxyphenyl)methoxy]phenyl]propan-1-ol
CID 110185097

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-[4-[(3-methoxyphenyl)methoxy]phenyl]propanoate;hydrochloride?
The IUPAC name of methyl 2-amino-3-[4-[(3-methoxyphenyl)methoxy]phenyl]propanoate;hydrochloride (CID 68667398) is methyl 2-amino-3-[4-[(3-methoxyphenyl)methoxy]phenyl]propanoate;hydrochloride.
What is the SMILES notation for methyl 2-amino-3-[4-[(3-methoxyphenyl)methoxy]phenyl]propanoate;hydrochloride?
The canonical SMILES for methyl 2-amino-3-[4-[(3-methoxyphenyl)methoxy]phenyl]propanoate;hydrochloride is COC(=O)C(N)Cc1ccc(OCc2cccc(OC)c2)cc1.Cl.
What is the InChIKey of methyl 2-amino-3-[4-[(3-methoxyphenyl)methoxy]phenyl]propanoate;hydrochloride?
The InChIKey is CHQQDVAHLBYOFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4.ClH/c1-21-16-5-3-4-14(10-16)12-23-15-8-6-13(7-9-15)11-17(19)18(20)22-2;/h3-10,17H,11-12,19H2,1-2H3;1H.
What are the key properties of methyl 2-amino-3-[4-[(3-methoxyphenyl)methoxy]phenyl]propanoate;hydrochloride?
methyl 2-amino-3-[4-[(3-methoxyphenyl)methoxy]phenyl]propanoate;hydrochloride has a molecular weight of 351.83 g/mol, XLogP of 2.74, 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-[(3-methoxyphenyl)methoxy]phenyl]propanoate;hydrochloride is sourced from PubChem (CID 68667398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).