methyl (2R)-2-amino-2-(3,5-ditert-butyl-2-hydroxyphenyl)acetate

C17H27NO3 — CID 171221473

IUPACmethyl (2R)-2-amino-2-(3,5-ditert-butyl-2-hydroxyphenyl)acetate
SMILESCOC(=O)[C@H](N)c1cc(C(C)(C)C)cc(C(C)(C)C)c1O
InChIInChI=1S/C17H27NO3/c1-16(2,3)10-8-11(13(18)15(20)21-7)14(19)12(9-10)17(4,5)6/h8-9,13,19H,18H2,1-7H3/t13-/m1/s1
InChIKeyCROUWWZMZBWJOP-CYBMUJFWSA-N
MW293.41 g/mol
LogP3.16
Rot. Bonds2

About methyl (2R)-2-amino-2-(3,5-ditert-butyl-2-hydroxyphenyl)acetate

methyl (2R)-2-amino-2-(3,5-ditert-butyl-2-hydroxyphenyl)acetate (PubChem CID 171221473) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is methyl (2R)-2-amino-2-(3,5-ditert-butyl-2-hydroxyphenyl)acetate.

Molecular Properties

Compound Namemethyl (2R)-2-amino-2-(3,5-ditert-butyl-2-hydroxyphenyl)acetate
PubChem CID171221473
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Namemethyl (2R)-2-amino-2-(3,5-ditert-butyl-2-hydroxyphenyl)acetate
SMILESCOC(=O)[C@H](N)c1cc(C(C)(C)C)cc(C(C)(C)C)c1O
InChIInChI=1S/C17H27NO3/c1-16(2,3)10-8-11(13(18)15(20)21-7)14(19)12(9-10)17(4,5)6/h8-9,13,19H,18H2,1-7H3/t13-/m1/s1
InChIKeyCROUWWZMZBWJOP-CYBMUJFWSA-N
XLogP3.16
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl (2R)-2-amino-2-(3,5-ditert-butyl-2-hydroxyphenyl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (3R)-3-amino-3-(3,5-ditert-butyl-2-hydroxyphenyl)-2,2-dimethylpropanoate
CID 171240283
2-[(1R)-1-amino-2,2-dimethylpropyl]-4,6-ditert-butylphenol;hydrochloride
CID 171247011
bis(2,4-ditert-butyl-6-propan-2-ylphenol);hydrazine
CID 174939437
2-[(1S)-1-amino-2-hydroxyethyl]-4,6-ditert-butylphenol
CID 66515999
2-[(1S)-1-amino-2,2-difluoroethyl]-4,6-ditert-butylphenol;hydrochloride
CID 171247002
2-[(1R,2S)-1-amino-2-hydroxypropyl]-4,6-ditert-butylphenol
CID 171261580
methyl 2,4,6-tritert-butylbenzoate
CID 5059268
2-[(1S)-1-amino-2-fluoroethyl]-4,6-ditert-butylphenol;hydrochloride
CID 171201880
methyl (2S)-2-amino-2-[5-bromo-2-hydroxy-3-(trifluoromethyl)phenyl]acetate;hydrochloride
CID 171258970
3-[(1S)-1-amino-2-methoxy-2-oxoethyl]-4-hydroxy-5-methylbenzoic acid
CID 171258237
2-[(R)-amino(cyclopropyl)methyl]-4,6-ditert-butylphenol;hydrochloride
CID 171201914
methyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)-2-methylpropanoate
CID 18974158

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-amino-2-(3,5-ditert-butyl-2-hydroxyphenyl)acetate?
The IUPAC name of methyl (2R)-2-amino-2-(3,5-ditert-butyl-2-hydroxyphenyl)acetate (CID 171221473) is methyl (2R)-2-amino-2-(3,5-ditert-butyl-2-hydroxyphenyl)acetate.
What is the SMILES notation for methyl (2R)-2-amino-2-(3,5-ditert-butyl-2-hydroxyphenyl)acetate?
The canonical SMILES for methyl (2R)-2-amino-2-(3,5-ditert-butyl-2-hydroxyphenyl)acetate is COC(=O)[C@H](N)c1cc(C(C)(C)C)cc(C(C)(C)C)c1O.
What is the InChIKey of methyl (2R)-2-amino-2-(3,5-ditert-butyl-2-hydroxyphenyl)acetate?
The InChIKey is CROUWWZMZBWJOP-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H27NO3/c1-16(2,3)10-8-11(13(18)15(20)21-7)14(19)12(9-10)17(4,5)6/h8-9,13,19H,18H2,1-7H3/t13-/m1/s1.
What are the key properties of methyl (2R)-2-amino-2-(3,5-ditert-butyl-2-hydroxyphenyl)acetate?
methyl (2R)-2-amino-2-(3,5-ditert-butyl-2-hydroxyphenyl)acetate has a molecular weight of 293.41 g/mol, XLogP of 3.16, 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-(3,5-ditert-butyl-2-hydroxyphenyl)acetate is sourced from PubChem (CID 171221473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).