methyl (2R)-2-amino-2-(3-chloro-4-methoxyphenyl)acetate

C10H12ClNO3 — CID 7278759

IUPACmethyl (2R)-2-amino-2-(3-chloro-4-methoxyphenyl)acetate
SMILESCOC(=O)[C@H](N)c1ccc(OC)c(Cl)c1
InChIInChI=1S/C10H12ClNO3/c1-14-8-4-3-6(5-7(8)11)9(12)10(13)15-2/h3-5,9H,12H2,1-2H3/t9-/m1/s1
InChIKeyPUVDZKSTEYEUPO-SECBINFHSA-N
MW229.66 g/mol
LogP1.52
Rot. Bonds3

About methyl (2R)-2-amino-2-(3-chloro-4-methoxyphenyl)acetate

methyl (2R)-2-amino-2-(3-chloro-4-methoxyphenyl)acetate (PubChem CID 7278759) has the molecular formula C10H12ClNO3 and a molecular weight of 229.66 g/mol. Its IUPAC name is methyl (2R)-2-amino-2-(3-chloro-4-methoxyphenyl)acetate.

Molecular Properties

Compound Namemethyl (2R)-2-amino-2-(3-chloro-4-methoxyphenyl)acetate
PubChem CID7278759
Molecular FormulaC10H12ClNO3
Molecular Weight229.66 g/mol
Exact Mass229.05
IUPAC Namemethyl (2R)-2-amino-2-(3-chloro-4-methoxyphenyl)acetate
SMILESCOC(=O)[C@H](N)c1ccc(OC)c(Cl)c1
InChIInChI=1S/C10H12ClNO3/c1-14-8-4-3-6(5-7(8)11)9(12)10(13)15-2/h3-5,9H,12H2,1-2H3/t9-/m1/s1
InChIKeyPUVDZKSTEYEUPO-SECBINFHSA-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 (2R)-2-amino-2-(4-chloro-3-methoxyphenyl)acetate
CID 171230748
methyl (2R)-2-amino-2-(3,4-dichlorophenyl)acetate;hydrochloride
CID 155903191
methyl (2S)-2-amino-2-[3-chloro-4-(trifluoromethoxy)phenyl]acetate;hydrochloride
CID 171208232
methyl (2S)-2-amino-2-(3-fluoro-4-methoxyphenyl)acetate
CID 171201488
methyl (2R)-2-amino-2-(4-methoxy-3-methylphenyl)acetate;hydrochloride
CID 171233347
methyl 2-amino-2-(4-chloro-3-methylphenyl)acetate
CID 130059187
methyl (2S)-2-amino-2-(3-chloro-4-hydroxy-5-methoxyphenyl)acetate;hydrochloride
CID 171215382
3-amino-3-(3-chloro-4-methoxyphenyl)propanehydrazide
CID 116848735
3-amino-3-(3-chloro-4-methoxyphenyl)propanoic acid
CID 6484258
(2R)-2-amino-2-(3-chloro-4-methoxyphenyl)ethanol
CID 42579768
5-amino-5-(3-chloro-4-methoxyphenyl)pentanamide
CID 54927664
5-amino-5-(3-chloro-4-methoxyphenyl)pentan-2-one
CID 116940666

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-amino-2-(3-chloro-4-methoxyphenyl)acetate?
The IUPAC name of methyl (2R)-2-amino-2-(3-chloro-4-methoxyphenyl)acetate (CID 7278759) is methyl (2R)-2-amino-2-(3-chloro-4-methoxyphenyl)acetate.
What is the SMILES notation for methyl (2R)-2-amino-2-(3-chloro-4-methoxyphenyl)acetate?
The canonical SMILES for methyl (2R)-2-amino-2-(3-chloro-4-methoxyphenyl)acetate is COC(=O)[C@H](N)c1ccc(OC)c(Cl)c1.
What is the InChIKey of methyl (2R)-2-amino-2-(3-chloro-4-methoxyphenyl)acetate?
The InChIKey is PUVDZKSTEYEUPO-SECBINFHSA-N. The full InChI is InChI=1S/C10H12ClNO3/c1-14-8-4-3-6(5-7(8)11)9(12)10(13)15-2/h3-5,9H,12H2,1-2H3/t9-/m1/s1.
What are the key properties of methyl (2R)-2-amino-2-(3-chloro-4-methoxyphenyl)acetate?
methyl (2R)-2-amino-2-(3-chloro-4-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 (2R)-2-amino-2-(3-chloro-4-methoxyphenyl)acetate is sourced from PubChem (CID 7278759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).