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

C16H19Cl3N2O3+2 — CID 173217229

IUPAChydron;methyl (2S)-2-amino-3-[5-[(2,6-dichlorophenyl)methoxy]-2-pyridinyl]propanoate;hydrochloride
SMILESCOC(=O)[C@@H](N)Cc1ccc(OCc2c(Cl)cccc2Cl)cn1.Cl.[H+].[H+]
InChIInChI=1S/C16H16Cl2N2O3.ClH/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;1H/p+2/t15-;/m0./s1
InChIKeyDLCCAJISDDXNEP-RSAXXLAASA-P
MW393.70 g/mol
LogP3.66
Rot. Bonds6

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

hydron;methyl (2S)-2-amino-3-[5-[(2,6-dichlorophenyl)methoxy]-2-pyridinyl]propanoate;hydrochloride (PubChem CID 173217229) has the molecular formula C16H19Cl3N2O3+2 and a molecular weight of 393.70 g/mol. Its IUPAC name is hydron;methyl (2S)-2-amino-3-[5-[(2,6-dichlorophenyl)methoxy]-2-pyridinyl]propanoate;hydrochloride.

Molecular Properties

Compound Namehydron;methyl (2S)-2-amino-3-[5-[(2,6-dichlorophenyl)methoxy]-2-pyridinyl]propanoate;hydrochloride
PubChem CID173217229
Molecular FormulaC16H19Cl3N2O3+2
Molecular Weight393.70 g/mol
Exact Mass392.05
IUPAC Namehydron;methyl (2S)-2-amino-3-[5-[(2,6-dichlorophenyl)methoxy]-2-pyridinyl]propanoate;hydrochloride
SMILESCOC(=O)[C@@H](N)Cc1ccc(OCc2c(Cl)cccc2Cl)cn1.Cl.[H+].[H+]
InChIInChI=1S/C16H16Cl2N2O3.ClH/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;1H/p+2/t15-;/m0./s1
InChIKeyDLCCAJISDDXNEP-RSAXXLAASA-P
XLogP3.66
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.70
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (2S)-2-amino-3-[5-[(2,6-dichlorophenyl)methoxy]-2-pyridinyl]propanoate;dihydrochloride
CID 141018466
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 hydron;methyl (2S)-2-amino-3-[5-[(2,6-dichlorophenyl)methoxy]-2-pyridinyl]propanoate;hydrochloride?
The IUPAC name of hydron;methyl (2S)-2-amino-3-[5-[(2,6-dichlorophenyl)methoxy]-2-pyridinyl]propanoate;hydrochloride (CID 173217229) is hydron;methyl (2S)-2-amino-3-[5-[(2,6-dichlorophenyl)methoxy]-2-pyridinyl]propanoate;hydrochloride.
What is the SMILES notation for hydron;methyl (2S)-2-amino-3-[5-[(2,6-dichlorophenyl)methoxy]-2-pyridinyl]propanoate;hydrochloride?
The canonical SMILES for hydron;methyl (2S)-2-amino-3-[5-[(2,6-dichlorophenyl)methoxy]-2-pyridinyl]propanoate;hydrochloride is COC(=O)[C@@H](N)Cc1ccc(OCc2c(Cl)cccc2Cl)cn1.Cl.[H+].[H+].
What is the InChIKey of hydron;methyl (2S)-2-amino-3-[5-[(2,6-dichlorophenyl)methoxy]-2-pyridinyl]propanoate;hydrochloride?
The InChIKey is DLCCAJISDDXNEP-RSAXXLAASA-P. The full InChI is InChI=1S/C16H16Cl2N2O3.ClH/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;1H/p+2/t15-;/m0./s1.
What are the key properties of hydron;methyl (2S)-2-amino-3-[5-[(2,6-dichlorophenyl)methoxy]-2-pyridinyl]propanoate;hydrochloride?
hydron;methyl (2S)-2-amino-3-[5-[(2,6-dichlorophenyl)methoxy]-2-pyridinyl]propanoate;hydrochloride has a molecular weight of 393.70 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;methyl (2S)-2-amino-3-[5-[(2,6-dichlorophenyl)methoxy]-2-pyridinyl]propanoate;hydrochloride is sourced from PubChem (CID 173217229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).