methyl (2R)-2-amino-2-(2-hydroxy-3-methylphenyl)acetate

C10H13NO3 — CID 130649312

IUPACmethyl (2R)-2-amino-2-(2-hydroxy-3-methylphenyl)acetate
SMILESCOC(=O)[C@H](N)c1cccc(C)c1O
InChIInChI=1S/C10H13NO3/c1-6-4-3-5-7(9(6)12)8(11)10(13)14-2/h3-5,8,12H,11H2,1-2H3/t8-/m1/s1
InChIKeyKHZRMZHPCIVPKA-MRVPVSSYSA-N
MW195.22 g/mol
LogP0.87
Rot. Bonds2

About methyl (2R)-2-amino-2-(2-hydroxy-3-methylphenyl)acetate

methyl (2R)-2-amino-2-(2-hydroxy-3-methylphenyl)acetate (PubChem CID 130649312) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is methyl (2R)-2-amino-2-(2-hydroxy-3-methylphenyl)acetate.

Molecular Properties

Compound Namemethyl (2R)-2-amino-2-(2-hydroxy-3-methylphenyl)acetate
PubChem CID130649312
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Namemethyl (2R)-2-amino-2-(2-hydroxy-3-methylphenyl)acetate
SMILESCOC(=O)[C@H](N)c1cccc(C)c1O
InChIInChI=1S/C10H13NO3/c1-6-4-3-5-7(9(6)12)8(11)10(13)14-2/h3-5,8,12H,11H2,1-2H3/t8-/m1/s1
InChIKeyKHZRMZHPCIVPKA-MRVPVSSYSA-N
XLogP0.87
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.87
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-(3-bromo-2-hydroxyphenyl)acetate
CID 130059952
methyl (2R)-2-amino-2-(3-ethyl-2-hydroxyphenyl)acetate
CID 171253853
methyl (2S)-2-amino-2-[2-hydroxy-3-(trifluoromethoxy)phenyl]acetate;hydrochloride
CID 171258855
2-[(1R)-1-amino-2,2-dimethylpropyl]-6-methylphenol
CID 130731500
methyl 2-amino-2-[5-(1-amino-2-oxopropyl)naphthalen-1-yl]acetate
CID 142960386
methyl (2R)-2-amino-2-(5-fluoro-2-hydroxy-3-methylphenyl)acetate;hydrochloride
CID 171225007
3-[(1S)-1-amino-2-methoxy-2-oxoethyl]-4-hydroxy-5-methylbenzoic acid
CID 171258237
methyl (2S)-2-amino-2-naphthalen-1-ylacetate;hydrochloride
CID 171212058
methyl (2S)-2-amino-2-(2-chloro-6-methylphenyl)acetate
CID 130673957
methyl 2-amino-2-(2-chloro-6-methylphenyl)acetate
CID 130059706
methyl (2R)-2-amino-2-(3,4-dichloro-2-hydroxyphenyl)acetate
CID 131463179
chloromethane;ethyl 3-amino-3-(2-hydroxy-3-methylphenyl)propanoate
CID 142920722

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-amino-2-(2-hydroxy-3-methylphenyl)acetate?
The IUPAC name of methyl (2R)-2-amino-2-(2-hydroxy-3-methylphenyl)acetate (CID 130649312) is methyl (2R)-2-amino-2-(2-hydroxy-3-methylphenyl)acetate.
What is the SMILES notation for methyl (2R)-2-amino-2-(2-hydroxy-3-methylphenyl)acetate?
The canonical SMILES for methyl (2R)-2-amino-2-(2-hydroxy-3-methylphenyl)acetate is COC(=O)[C@H](N)c1cccc(C)c1O.
What is the InChIKey of methyl (2R)-2-amino-2-(2-hydroxy-3-methylphenyl)acetate?
The InChIKey is KHZRMZHPCIVPKA-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-6-4-3-5-7(9(6)12)8(11)10(13)14-2/h3-5,8,12H,11H2,1-2H3/t8-/m1/s1.
What are the key properties of methyl (2R)-2-amino-2-(2-hydroxy-3-methylphenyl)acetate?
methyl (2R)-2-amino-2-(2-hydroxy-3-methylphenyl)acetate has a molecular weight of 195.22 g/mol, XLogP of 0.87, 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-(2-hydroxy-3-methylphenyl)acetate is sourced from PubChem (CID 130649312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).