methyl (2S)-2-amino-2-(3,5-dichloro-4-pyridinyl)acetate;hydrochloride

C8H9Cl3N2O2 — CID 171204681

IUPACmethyl (2S)-2-amino-2-(3,5-dichloro-4-pyridinyl)acetate;hydrochloride
SMILESCOC(=O)[C@@H](N)c1c(Cl)cncc1Cl.Cl
InChIInChI=1S/C8H8Cl2N2O2.ClH/c1-14-8(13)7(11)6-4(9)2-12-3-5(6)10;/h2-3,7H,11H2,1H3;1H/t7-;/m0./s1
InChIKeyFOWGZICHUCJXDG-FJXQXJEOSA-N
MW271.53 g/mol
LogP1.98
Rot. Bonds2

About methyl (2S)-2-amino-2-(3,5-dichloro-4-pyridinyl)acetate;hydrochloride

methyl (2S)-2-amino-2-(3,5-dichloro-4-pyridinyl)acetate;hydrochloride (PubChem CID 171204681) has the molecular formula C8H9Cl3N2O2 and a molecular weight of 271.53 g/mol. Its IUPAC name is methyl (2S)-2-amino-2-(3,5-dichloro-4-pyridinyl)acetate;hydrochloride.

Molecular Properties

Compound Namemethyl (2S)-2-amino-2-(3,5-dichloro-4-pyridinyl)acetate;hydrochloride
PubChem CID171204681
Molecular FormulaC8H9Cl3N2O2
Molecular Weight271.53 g/mol
Exact Mass269.97
IUPAC Namemethyl (2S)-2-amino-2-(3,5-dichloro-4-pyridinyl)acetate;hydrochloride
SMILESCOC(=O)[C@@H](N)c1c(Cl)cncc1Cl.Cl
InChIInChI=1S/C8H8Cl2N2O2.ClH/c1-14-8(13)7(11)6-4(9)2-12-3-5(6)10;/h2-3,7H,11H2,1H3;1H/t7-;/m0./s1
InChIKeyFOWGZICHUCJXDG-FJXQXJEOSA-N
XLogP1.98
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.53
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2R)-2-amino-2-(3-chloro-4-pyridinyl)acetate
CID 130613043
methyl (2S)-2-amino-2-(2,4-dichloro-6-hydroxyphenyl)acetate;hydrochloride
CID 171211605
methyl (2S)-2-amino-2-(2-chloro-6-methylphenyl)acetate;hydrochloride
CID 171210746
methyl (2S)-2-amino-2-(3,6-dichloro-2-fluorophenyl)acetate
CID 131503024
methyl (2R)-2-amino-2-(3,4-dichlorophenyl)acetate;hydrochloride
CID 155903191
methyl (2R)-2-amino-2-(3-chloro-2,6-difluorophenyl)acetate;hydrochloride
CID 171228604
methyl (2S)-2-amino-2-(6-chloro-2-fluoro-3-methylphenyl)acetate;hydrochloride
CID 171209172
methyl (2S)-2-amino-2-(2-chloro-6-methylphenyl)acetate
CID 130673957
methyl 2-amino-2-(2-chloro-6-methylphenyl)acetate
CID 130059706
methyl 2-amino-2-(2-bromo-6-chlorophenyl)acetate
CID 131421509
2,4-bis(3,5-dichloro-4-pyridinyl)pentan-3-one
CID 154128737
methyl (2S)-2-amino-2-(6-chloro-3-fluoro-2-hydroxyphenyl)acetate
CID 131423206

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-amino-2-(3,5-dichloro-4-pyridinyl)acetate;hydrochloride?
The IUPAC name of methyl (2S)-2-amino-2-(3,5-dichloro-4-pyridinyl)acetate;hydrochloride (CID 171204681) is methyl (2S)-2-amino-2-(3,5-dichloro-4-pyridinyl)acetate;hydrochloride.
What is the SMILES notation for methyl (2S)-2-amino-2-(3,5-dichloro-4-pyridinyl)acetate;hydrochloride?
The canonical SMILES for methyl (2S)-2-amino-2-(3,5-dichloro-4-pyridinyl)acetate;hydrochloride is COC(=O)[C@@H](N)c1c(Cl)cncc1Cl.Cl.
What is the InChIKey of methyl (2S)-2-amino-2-(3,5-dichloro-4-pyridinyl)acetate;hydrochloride?
The InChIKey is FOWGZICHUCJXDG-FJXQXJEOSA-N. The full InChI is InChI=1S/C8H8Cl2N2O2.ClH/c1-14-8(13)7(11)6-4(9)2-12-3-5(6)10;/h2-3,7H,11H2,1H3;1H/t7-;/m0./s1.
What are the key properties of methyl (2S)-2-amino-2-(3,5-dichloro-4-pyridinyl)acetate;hydrochloride?
methyl (2S)-2-amino-2-(3,5-dichloro-4-pyridinyl)acetate;hydrochloride has a molecular weight of 271.53 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-amino-2-(3,5-dichloro-4-pyridinyl)acetate;hydrochloride is sourced from PubChem (CID 171204681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).