methyl (2R)-2-amino-2-(5-chloro-2-hydroxyphenyl)acetate;hydrochloride

C9H11Cl2NO3 — CID 171217153

IUPACmethyl (2R)-2-amino-2-(5-chloro-2-hydroxyphenyl)acetate;hydrochloride
SMILESCOC(=O)[C@H](N)c1cc(Cl)ccc1O.Cl
InChIInChI=1S/C9H10ClNO3.ClH/c1-14-9(13)8(11)6-4-5(10)2-3-7(6)12;/h2-4,8,12H,11H2,1H3;1H/t8-;/m1./s1
InChIKeyIPVZKZZMHDMLFN-DDWIOCJRSA-N
MW252.10 g/mol
LogP1.64
Rot. Bonds2

About methyl (2R)-2-amino-2-(5-chloro-2-hydroxyphenyl)acetate;hydrochloride

methyl (2R)-2-amino-2-(5-chloro-2-hydroxyphenyl)acetate;hydrochloride (PubChem CID 171217153) has the molecular formula C9H11Cl2NO3 and a molecular weight of 252.10 g/mol. Its IUPAC name is methyl (2R)-2-amino-2-(5-chloro-2-hydroxyphenyl)acetate;hydrochloride.

Molecular Properties

Compound Namemethyl (2R)-2-amino-2-(5-chloro-2-hydroxyphenyl)acetate;hydrochloride
PubChem CID171217153
Molecular FormulaC9H11Cl2NO3
Molecular Weight252.10 g/mol
Exact Mass251.01
IUPAC Namemethyl (2R)-2-amino-2-(5-chloro-2-hydroxyphenyl)acetate;hydrochloride
SMILESCOC(=O)[C@H](N)c1cc(Cl)ccc1O.Cl
InChIInChI=1S/C9H10ClNO3.ClH/c1-14-9(13)8(11)6-4-5(10)2-3-7(6)12;/h2-4,8,12H,11H2,1H3;1H/t8-;/m1./s1
InChIKeyIPVZKZZMHDMLFN-DDWIOCJRSA-N
XLogP1.64
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.10
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

methyl 2-amino-2-(2,5-dichlorophenyl)acetate;hydrochloride
CID 162344729
methyl 2-amino-2-(2-amino-5-chlorophenyl)acetate
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methyl (2S)-2-amino-2-(5-chloro-2-methoxyphenyl)acetate
CID 171215055
methyl 2-amino-2-(2-bromo-5-chlorophenyl)acetate
CID 66156456
methyl (2S)-2-amino-2-(2-bromo-4-chlorophenyl)acetate
CID 130055209
methyl (2R)-2-amino-2-(5-chloro-2-nitrophenyl)acetate
CID 171225993
2-(1-aminoethyl)-4-chlorophenol;hydrochloride
CID 146014077
methyl (2S)-2-amino-2-[2-hydroxy-5-(trifluoromethoxy)phenyl]acetate;hydrochloride
CID 171210160
2-[(1R)-1-amino-2,2-dimethylpropyl]-4-chlorophenol
CID 131224816
methyl (2S)-2-amino-2-(2-hydroxy-4-methylphenyl)acetate;hydrochloride
CID 171212426
methyl (2S)-2-amino-2-(2,4-dichloro-6-hydroxyphenyl)acetate;hydrochloride
CID 171211605
methyl (2S)-2-amino-2-(4-hydroxynaphthalen-1-yl)acetate;hydrochloride
CID 171208922

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-amino-2-(5-chloro-2-hydroxyphenyl)acetate;hydrochloride?
The IUPAC name of methyl (2R)-2-amino-2-(5-chloro-2-hydroxyphenyl)acetate;hydrochloride (CID 171217153) is methyl (2R)-2-amino-2-(5-chloro-2-hydroxyphenyl)acetate;hydrochloride.
What is the SMILES notation for methyl (2R)-2-amino-2-(5-chloro-2-hydroxyphenyl)acetate;hydrochloride?
The canonical SMILES for methyl (2R)-2-amino-2-(5-chloro-2-hydroxyphenyl)acetate;hydrochloride is COC(=O)[C@H](N)c1cc(Cl)ccc1O.Cl.
What is the InChIKey of methyl (2R)-2-amino-2-(5-chloro-2-hydroxyphenyl)acetate;hydrochloride?
The InChIKey is IPVZKZZMHDMLFN-DDWIOCJRSA-N. The full InChI is InChI=1S/C9H10ClNO3.ClH/c1-14-9(13)8(11)6-4-5(10)2-3-7(6)12;/h2-4,8,12H,11H2,1H3;1H/t8-;/m1./s1.
What are the key properties of methyl (2R)-2-amino-2-(5-chloro-2-hydroxyphenyl)acetate;hydrochloride?
methyl (2R)-2-amino-2-(5-chloro-2-hydroxyphenyl)acetate;hydrochloride has a molecular weight of 252.10 g/mol, XLogP of 1.64, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-amino-2-(5-chloro-2-hydroxyphenyl)acetate;hydrochloride is sourced from PubChem (CID 171217153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).