methyl (2R)-2-amino-2-(3-amino-2-hydroxy-6-methylphenyl)acetate

C10H14N2O3 — CID 171253569

IUPACmethyl (2R)-2-amino-2-(3-amino-2-hydroxy-6-methylphenyl)acetate
SMILESCOC(=O)[C@H](N)c1c(C)ccc(N)c1O
InChIInChI=1S/C10H14N2O3/c1-5-3-4-6(11)9(13)7(5)8(12)10(14)15-2/h3-4,8,13H,11-12H2,1-2H3/t8-/m1/s1
InChIKeyDRRQHXRGXZYVNV-MRVPVSSYSA-N
MW210.23 g/mol
LogP0.46
Rot. Bonds2

About methyl (2R)-2-amino-2-(3-amino-2-hydroxy-6-methylphenyl)acetate

methyl (2R)-2-amino-2-(3-amino-2-hydroxy-6-methylphenyl)acetate (PubChem CID 171253569) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is methyl (2R)-2-amino-2-(3-amino-2-hydroxy-6-methylphenyl)acetate.

Molecular Properties

Compound Namemethyl (2R)-2-amino-2-(3-amino-2-hydroxy-6-methylphenyl)acetate
PubChem CID171253569
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Namemethyl (2R)-2-amino-2-(3-amino-2-hydroxy-6-methylphenyl)acetate
SMILESCOC(=O)[C@H](N)c1c(C)ccc(N)c1O
InChIInChI=1S/C10H14N2O3/c1-5-3-4-6(11)9(13)7(5)8(12)10(14)15-2/h3-4,8,13H,11-12H2,1-2H3/t8-/m1/s1
InChIKeyDRRQHXRGXZYVNV-MRVPVSSYSA-N
XLogP0.46
TPSA98.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl (3R)-3-amino-3-(3-amino-2-hydroxy-6-methylphenyl)propanoate
CID 171256915
6-amino-2-[(1S)-1-amino-2,2-difluoroethyl]-3-methylphenol
CID 131219013
6-amino-2-[(1R)-1,2-diaminoethyl]-3-methylphenol
CID 131008414
(2S)-2-amino-2-(3-amino-2-hydroxy-6-methylphenyl)acetonitrile
CID 131008413
methyl (2S)-2-amino-2-(2-chloro-6-methylphenyl)acetate
CID 130673957
methyl 2-amino-2-(2-chloro-6-methylphenyl)acetate
CID 130059706
methyl (2S)-2-amino-2-(2-chloro-6-methylphenyl)acetate;hydrochloride
CID 171210746
methyl 2-amino-2-(4-hydroxy-3,5-dimethylphenyl)acetate
CID 60796972
6-amino-2-[(1S)-1-aminoprop-2-enyl]-3-methylphenol;hydrochloride
CID 171253567
methyl (2R)-2-amino-2-(2-hydroxy-3-methylphenyl)acetate
CID 130649312
methyl (2S)-2-amino-2-(6-chloro-2-fluoro-3-methylphenyl)acetate;hydrochloride
CID 171209172
methyl (2R)-2-amino-2-(2,3,4,5,6-pentamethylphenyl)acetate
CID 171232982

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-amino-2-(3-amino-2-hydroxy-6-methylphenyl)acetate?
The IUPAC name of methyl (2R)-2-amino-2-(3-amino-2-hydroxy-6-methylphenyl)acetate (CID 171253569) is methyl (2R)-2-amino-2-(3-amino-2-hydroxy-6-methylphenyl)acetate.
What is the SMILES notation for methyl (2R)-2-amino-2-(3-amino-2-hydroxy-6-methylphenyl)acetate?
The canonical SMILES for methyl (2R)-2-amino-2-(3-amino-2-hydroxy-6-methylphenyl)acetate is COC(=O)[C@H](N)c1c(C)ccc(N)c1O.
What is the InChIKey of methyl (2R)-2-amino-2-(3-amino-2-hydroxy-6-methylphenyl)acetate?
The InChIKey is DRRQHXRGXZYVNV-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-5-3-4-6(11)9(13)7(5)8(12)10(14)15-2/h3-4,8,13H,11-12H2,1-2H3/t8-/m1/s1.
What are the key properties of methyl (2R)-2-amino-2-(3-amino-2-hydroxy-6-methylphenyl)acetate?
methyl (2R)-2-amino-2-(3-amino-2-hydroxy-6-methylphenyl)acetate has a molecular weight of 210.23 g/mol, XLogP of 0.46, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-amino-2-(3-amino-2-hydroxy-6-methylphenyl)acetate is sourced from PubChem (CID 171253569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).