methyl 2-amino-3-[4-[(2,6-dichlorophenyl)methoxy]phenyl]propanoate

C17H17Cl2NO3 — CID 22386629

IUPACmethyl 2-amino-3-[4-[(2,6-dichlorophenyl)methoxy]phenyl]propanoate
SMILESCOC(=O)C(N)Cc1ccc(OCc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C17H17Cl2NO3/c1-22-17(21)16(20)9-11-5-7-12(8-6-11)23-10-13-14(18)3-2-4-15(13)19/h2-8,16H,9-10,20H2,1H3
InChIKeySEMDHTNNROAVKM-UHFFFAOYSA-N
MW354.23 g/mol
LogP3.62
Rot. Bonds6

About methyl 2-amino-3-[4-[(2,6-dichlorophenyl)methoxy]phenyl]propanoate

methyl 2-amino-3-[4-[(2,6-dichlorophenyl)methoxy]phenyl]propanoate (PubChem CID 22386629) has the molecular formula C17H17Cl2NO3 and a molecular weight of 354.23 g/mol. Its IUPAC name is methyl 2-amino-3-[4-[(2,6-dichlorophenyl)methoxy]phenyl]propanoate.

Molecular Properties

Compound Namemethyl 2-amino-3-[4-[(2,6-dichlorophenyl)methoxy]phenyl]propanoate
PubChem CID22386629
Molecular FormulaC17H17Cl2NO3
Molecular Weight354.23 g/mol
Exact Mass353.06
IUPAC Namemethyl 2-amino-3-[4-[(2,6-dichlorophenyl)methoxy]phenyl]propanoate
SMILESCOC(=O)C(N)Cc1ccc(OCc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C17H17Cl2NO3/c1-22-17(21)16(20)9-11-5-7-12(8-6-11)23-10-13-14(18)3-2-4-15(13)19/h2-8,16H,9-10,20H2,1H3
InChIKeySEMDHTNNROAVKM-UHFFFAOYSA-N
XLogP3.62
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.23
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-amino-3-[4-[(2,6-dichlorophenyl)methoxy]phenyl]propanoate with MolForge

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Related Compounds

methyl 2-amino-3-[3-[(2,6-dichlorophenyl)methoxy]phenyl]propanoate
CID 22624503
(2R)-2-amino-3-[4-[(2,6-dichlorophenyl)methoxy]phenyl]propanoic acid
CID 56777094
methyl (2S)-2-amino-3-[5-[(2,6-dichlorophenyl)methoxy]-2-pyridinyl]propanoate;dihydrochloride
CID 141018466
hydron;methyl (2S)-2-amino-3-[5-[(2,6-dichlorophenyl)methoxy]-2-pyridinyl]propanoate;hydrochloride
CID 173217229
methyl (2S)-2-amino-3-[4-[(2,6-dichlorophenyl)methylamino]phenyl]propanoate
CID 22898731
2-[[4-[(2,6-dichlorophenyl)methoxy]phenyl]methyl]-3-ethoxy-3-oxopropanoic acid
CID 70021605
methyl 2-amino-3-[4-[(3-methoxyphenyl)methoxy]phenyl]propanoate;hydrochloride
CID 68667398
methyl (2S)-2-amino-3-[4-[2-(2,6-dichlorophenyl)-2-oxoethyl]phenyl]propanoate
CID 157478198
methyl 2-amino-3-[4-(2-oxopropoxy)phenyl]propanoate
CID 143703835
1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-N-methylpropan-2-amine
CID 115494711
methyl 2-amino-3-(4-prop-2-ynoxyphenyl)propanoate
CID 61299171
methyl (2R)-2-amino-3-(4-chlorophenyl)propanoate
CID 827422

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-[4-[(2,6-dichlorophenyl)methoxy]phenyl]propanoate?
The IUPAC name of methyl 2-amino-3-[4-[(2,6-dichlorophenyl)methoxy]phenyl]propanoate (CID 22386629) is methyl 2-amino-3-[4-[(2,6-dichlorophenyl)methoxy]phenyl]propanoate.
What is the SMILES notation for methyl 2-amino-3-[4-[(2,6-dichlorophenyl)methoxy]phenyl]propanoate?
The canonical SMILES for methyl 2-amino-3-[4-[(2,6-dichlorophenyl)methoxy]phenyl]propanoate is COC(=O)C(N)Cc1ccc(OCc2c(Cl)cccc2Cl)cc1.
What is the InChIKey of methyl 2-amino-3-[4-[(2,6-dichlorophenyl)methoxy]phenyl]propanoate?
The InChIKey is SEMDHTNNROAVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO3/c1-22-17(21)16(20)9-11-5-7-12(8-6-11)23-10-13-14(18)3-2-4-15(13)19/h2-8,16H,9-10,20H2,1H3.
What are the key properties of methyl 2-amino-3-[4-[(2,6-dichlorophenyl)methoxy]phenyl]propanoate?
methyl 2-amino-3-[4-[(2,6-dichlorophenyl)methoxy]phenyl]propanoate has a molecular weight of 354.23 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-[4-[(2,6-dichlorophenyl)methoxy]phenyl]propanoate is sourced from PubChem (CID 22386629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).