methyl (2S)-2-amino-3-[5-[(2,6-dichlorophenyl)methoxy]-2-pyridinyl]propanoate;dihydrochloride

C16H18Cl4N2O3 — CID 141018466

IUPACmethyl (2S)-2-amino-3-[5-[(2,6-dichlorophenyl)methoxy]-2-pyridinyl]propanoate;dihydrochloride
SMILESCOC(=O)[C@@H](N)Cc1ccc(OCc2c(Cl)cccc2Cl)cn1.Cl.Cl
InChIInChI=1S/C16H16Cl2N2O3.2ClH/c1-22-16(21)15(19)7-10-5-6-11(8-20-10)23-9-12-13(17)3-2-4-14(12)18;;/h2-6,8,15H,7,9,19H2,1H3;2*1H/t15-;;/m0../s1
InChIKeyDPBJOYMGBAMQKL-CKUXDGONSA-N
MW428.14 g/mol
LogP3.85
Rot. Bonds6

About methyl (2S)-2-amino-3-[5-[(2,6-dichlorophenyl)methoxy]-2-pyridinyl]propanoate;dihydrochloride

methyl (2S)-2-amino-3-[5-[(2,6-dichlorophenyl)methoxy]-2-pyridinyl]propanoate;dihydrochloride (PubChem CID 141018466) has the molecular formula C16H18Cl4N2O3 and a molecular weight of 428.14 g/mol. Its IUPAC name is methyl (2S)-2-amino-3-[5-[(2,6-dichlorophenyl)methoxy]-2-pyridinyl]propanoate;dihydrochloride.

Molecular Properties

Compound Namemethyl (2S)-2-amino-3-[5-[(2,6-dichlorophenyl)methoxy]-2-pyridinyl]propanoate;dihydrochloride
PubChem CID141018466
Molecular FormulaC16H18Cl4N2O3
Molecular Weight428.14 g/mol
Exact Mass426.01
IUPAC Namemethyl (2S)-2-amino-3-[5-[(2,6-dichlorophenyl)methoxy]-2-pyridinyl]propanoate;dihydrochloride
SMILESCOC(=O)[C@@H](N)Cc1ccc(OCc2c(Cl)cccc2Cl)cn1.Cl.Cl
InChIInChI=1S/C16H16Cl2N2O3.2ClH/c1-22-16(21)15(19)7-10-5-6-11(8-20-10)23-9-12-13(17)3-2-4-14(12)18;;/h2-6,8,15H,7,9,19H2,1H3;2*1H/t15-;;/m0../s1
InChIKeyDPBJOYMGBAMQKL-CKUXDGONSA-N
XLogP3.85
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.14
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl (2S)-2-amino-3-[5-[(2,6-dichlorophenyl)methoxy]-2-pyridinyl]propanoate;dihydrochloride 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

hydron;methyl (2S)-2-amino-3-[5-[(2,6-dichlorophenyl)methoxy]-2-pyridinyl]propanoate;hydrochloride
CID 173217229
methyl 2-amino-3-[4-[(2,6-dichlorophenyl)methoxy]phenyl]propanoate
CID 22386629
methyl 2-amino-3-[3-[(2,6-dichlorophenyl)methoxy]phenyl]propanoate
CID 22624503
1-[5-[(2-chloro-6-fluorophenyl)methoxy]-2-pyridinyl]butan-2-amine
CID 79790836
5-[(2,6-dichlorophenyl)methoxy]pyridine-2-carboxylic acid
CID 79793988
(2R)-2-amino-3-[4-[(2,6-dichlorophenyl)methoxy]phenyl]propanoic acid
CID 56777094
azane;benzyl 2-amino-3-(5-phenylmethoxy-2-pyridinyl)propanoate
CID 174391409
2-bromo-5-[(2,6-dichlorophenyl)methoxy]pyridine
CID 103695201
methyl (2S)-2-amino-3-[4-[(2,6-dichlorophenyl)methylamino]phenyl]propanoate
CID 22898731
1-[5-[(2-chloro-6-nitrophenyl)methoxy]-2-pyridinyl]-N-methylmethanamine
CID 79781811
N-[4-[(2,6-dichlorophenyl)methoxy]phenyl]acetamide
CID 7640056
5-[(2,6-dichlorophenyl)methoxy]-2-methylpyrimidine
CID 170608959

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-amino-3-[5-[(2,6-dichlorophenyl)methoxy]-2-pyridinyl]propanoate;dihydrochloride?
The IUPAC name of methyl (2S)-2-amino-3-[5-[(2,6-dichlorophenyl)methoxy]-2-pyridinyl]propanoate;dihydrochloride (CID 141018466) is methyl (2S)-2-amino-3-[5-[(2,6-dichlorophenyl)methoxy]-2-pyridinyl]propanoate;dihydrochloride.
What is the SMILES notation for methyl (2S)-2-amino-3-[5-[(2,6-dichlorophenyl)methoxy]-2-pyridinyl]propanoate;dihydrochloride?
The canonical SMILES for methyl (2S)-2-amino-3-[5-[(2,6-dichlorophenyl)methoxy]-2-pyridinyl]propanoate;dihydrochloride is COC(=O)[C@@H](N)Cc1ccc(OCc2c(Cl)cccc2Cl)cn1.Cl.Cl.
What is the InChIKey of methyl (2S)-2-amino-3-[5-[(2,6-dichlorophenyl)methoxy]-2-pyridinyl]propanoate;dihydrochloride?
The InChIKey is DPBJOYMGBAMQKL-CKUXDGONSA-N. The full InChI is InChI=1S/C16H16Cl2N2O3.2ClH/c1-22-16(21)15(19)7-10-5-6-11(8-20-10)23-9-12-13(17)3-2-4-14(12)18;;/h2-6,8,15H,7,9,19H2,1H3;2*1H/t15-;;/m0../s1.
What are the key properties of methyl (2S)-2-amino-3-[5-[(2,6-dichlorophenyl)methoxy]-2-pyridinyl]propanoate;dihydrochloride?
methyl (2S)-2-amino-3-[5-[(2,6-dichlorophenyl)methoxy]-2-pyridinyl]propanoate;dihydrochloride has a molecular weight of 428.14 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-amino-3-[5-[(2,6-dichlorophenyl)methoxy]-2-pyridinyl]propanoate;dihydrochloride is sourced from PubChem (CID 141018466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).