methyl (2S)-2-amino-2-(5-chloro-2-methoxyphenyl)acetate

C10H12ClNO3 — CID 171215055

IUPACmethyl (2S)-2-amino-2-(5-chloro-2-methoxyphenyl)acetate
SMILESCOC(=O)[C@@H](N)c1cc(Cl)ccc1OC
InChIInChI=1S/C10H12ClNO3/c1-14-8-4-3-6(11)5-7(8)9(12)10(13)15-2/h3-5,9H,12H2,1-2H3/t9-/m0/s1
InChIKeyUBZDANSBXGVWPH-VIFPVBQESA-N
MW229.66 g/mol
LogP1.52
Rot. Bonds3

About methyl (2S)-2-amino-2-(5-chloro-2-methoxyphenyl)acetate

methyl (2S)-2-amino-2-(5-chloro-2-methoxyphenyl)acetate (PubChem CID 171215055) has the molecular formula C10H12ClNO3 and a molecular weight of 229.66 g/mol. Its IUPAC name is methyl (2S)-2-amino-2-(5-chloro-2-methoxyphenyl)acetate.

Molecular Properties

Compound Namemethyl (2S)-2-amino-2-(5-chloro-2-methoxyphenyl)acetate
PubChem CID171215055
Molecular FormulaC10H12ClNO3
Molecular Weight229.66 g/mol
Exact Mass229.05
IUPAC Namemethyl (2S)-2-amino-2-(5-chloro-2-methoxyphenyl)acetate
SMILESCOC(=O)[C@@H](N)c1cc(Cl)ccc1OC
InChIInChI=1S/C10H12ClNO3/c1-14-8-4-3-6(11)5-7(8)9(12)10(13)15-2/h3-5,9H,12H2,1-2H3/t9-/m0/s1
InChIKeyUBZDANSBXGVWPH-VIFPVBQESA-N
XLogP1.52
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.66
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-bromo-2-(5-chloro-2-methoxyphenyl)acetate
CID 82489876
methyl 2-amino-2-(2,5-dichlorophenyl)acetate;hydrochloride
CID 162344729
methyl 2-amino-2-(2-amino-5-chlorophenyl)acetate
CID 130061350
methyl (2R)-2-amino-2-(5-chloro-2-hydroxyphenyl)acetate;hydrochloride
CID 171217153
methyl 2-amino-2-(2-bromo-5-chlorophenyl)acetate
CID 66156456
2-chloro-2-(5-chloro-2-methoxyphenyl)acetamide
CID 138607352
methyl (2S)-2-amino-2-(2-bromo-4-chlorophenyl)acetate
CID 130055209
(1R)-1-(5-chloro-2-methoxyphenyl)-2,2-dimethylpropan-1-amine
CID 130039782
methyl 2-amino-2-(5-chloro-4-methoxy-2-methylphenyl)acetate
CID 116856914
methyl (2S)-2-amino-2-(2-chloro-3,4-dimethoxyphenyl)acetate;hydrochloride
CID 171202030
(1S)-1-(5-chloro-2-methoxyphenyl)ethanamine;hydrochloride
CID 171234656
methyl (2R)-2-amino-2-(5-chloro-2-nitrophenyl)acetate
CID 171225993

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-amino-2-(5-chloro-2-methoxyphenyl)acetate?
The IUPAC name of methyl (2S)-2-amino-2-(5-chloro-2-methoxyphenyl)acetate (CID 171215055) is methyl (2S)-2-amino-2-(5-chloro-2-methoxyphenyl)acetate.
What is the SMILES notation for methyl (2S)-2-amino-2-(5-chloro-2-methoxyphenyl)acetate?
The canonical SMILES for methyl (2S)-2-amino-2-(5-chloro-2-methoxyphenyl)acetate is COC(=O)[C@@H](N)c1cc(Cl)ccc1OC.
What is the InChIKey of methyl (2S)-2-amino-2-(5-chloro-2-methoxyphenyl)acetate?
The InChIKey is UBZDANSBXGVWPH-VIFPVBQESA-N. The full InChI is InChI=1S/C10H12ClNO3/c1-14-8-4-3-6(11)5-7(8)9(12)10(13)15-2/h3-5,9H,12H2,1-2H3/t9-/m0/s1.
What are the key properties of methyl (2S)-2-amino-2-(5-chloro-2-methoxyphenyl)acetate?
methyl (2S)-2-amino-2-(5-chloro-2-methoxyphenyl)acetate has a molecular weight of 229.66 g/mol, XLogP of 1.52, 3 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-(5-chloro-2-methoxyphenyl)acetate is sourced from PubChem (CID 171215055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).