(2R)-2-amino-N-(3-bromo-2-hydroxyphenyl)-3,3-dimethylbutanamide

C12H17BrN2O2 — CID 103930341

IUPAC(2R)-2-amino-N-(3-bromo-2-hydroxyphenyl)-3,3-dimethylbutanamide
SMILESCC(C)(C)[C@@H](N)C(=O)Nc1cccc(Br)c1O
InChIInChI=1S/C12H17BrN2O2/c1-12(2,3)10(14)11(17)15-8-6-4-5-7(13)9(8)16/h4-6,10,16H,14H2,1-3H3,(H,15,17)/t10-/m0/s1
InChIKeyUUBMYTIXJDGQCV-JTQLQIEISA-N
MW301.18 g/mol
LogP2.47
Rot. Bonds2

About (2R)-2-amino-N-(3-bromo-2-hydroxyphenyl)-3,3-dimethylbutanamide

(2R)-2-amino-N-(3-bromo-2-hydroxyphenyl)-3,3-dimethylbutanamide (PubChem CID 103930341) has the molecular formula C12H17BrN2O2 and a molecular weight of 301.18 g/mol. Its IUPAC name is (2R)-2-amino-N-(3-bromo-2-hydroxyphenyl)-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(3-bromo-2-hydroxyphenyl)-3,3-dimethylbutanamide
PubChem CID103930341
Molecular FormulaC12H17BrN2O2
Molecular Weight301.18 g/mol
Exact Mass300.05
IUPAC Name(2R)-2-amino-N-(3-bromo-2-hydroxyphenyl)-3,3-dimethylbutanamide
SMILESCC(C)(C)[C@@H](N)C(=O)Nc1cccc(Br)c1O
InChIInChI=1S/C12H17BrN2O2/c1-12(2,3)10(14)11(17)15-8-6-4-5-7(13)9(8)16/h4-6,10,16H,14H2,1-3H3,(H,15,17)/t10-/m0/s1
InChIKeyUUBMYTIXJDGQCV-JTQLQIEISA-N
XLogP2.47
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.18
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-N-(2-bromophenyl)-3,3-dimethylbutanamide
CID 61148878
(2R)-2-amino-N-(2-hydroxy-3-methylphenyl)-3,3-dimethylbutanamide
CID 103930188
2-amino-N-(2,6-dibromophenyl)-3,3-dimethylbutanamide
CID 107599700
2-amino-N-(2,3-dimethylphenyl)-3,3-dimethylbutanamide
CID 76892662
2-amino-N-(2,5-dibromophenyl)-3,3-dimethylbutanamide
CID 76887880
(2S)-2-amino-3,3-dimethyl-N-(2-methylphenyl)butanamide;hydrochloride
CID 119670466
2-amino-N-(3-chloro-2-methylphenyl)-3,3-dimethylbutanamide
CID 76892391
(2R)-2-amino-N-(2-bromo-4-iodophenyl)-3,3-dimethylbutanamide
CID 114259905
(2R)-2-amino-N-(2-bromo-4-methylphenyl)-3,3-dimethylbutanamide
CID 113353272
(2S)-2-amino-N-(3-bromo-2-hydroxyphenyl)-3-(4-hydroxyphenyl)propanamide
CID 81495580
2-[2-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]phenyl]acetic acid
CID 62535737
2-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]benzamide
CID 61148588

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(3-bromo-2-hydroxyphenyl)-3,3-dimethylbutanamide?
The IUPAC name of (2R)-2-amino-N-(3-bromo-2-hydroxyphenyl)-3,3-dimethylbutanamide (CID 103930341) is (2R)-2-amino-N-(3-bromo-2-hydroxyphenyl)-3,3-dimethylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-(3-bromo-2-hydroxyphenyl)-3,3-dimethylbutanamide?
The canonical SMILES for (2R)-2-amino-N-(3-bromo-2-hydroxyphenyl)-3,3-dimethylbutanamide is CC(C)(C)[C@@H](N)C(=O)Nc1cccc(Br)c1O.
What is the InChIKey of (2R)-2-amino-N-(3-bromo-2-hydroxyphenyl)-3,3-dimethylbutanamide?
The InChIKey is UUBMYTIXJDGQCV-JTQLQIEISA-N. The full InChI is InChI=1S/C12H17BrN2O2/c1-12(2,3)10(14)11(17)15-8-6-4-5-7(13)9(8)16/h4-6,10,16H,14H2,1-3H3,(H,15,17)/t10-/m0/s1.
What are the key properties of (2R)-2-amino-N-(3-bromo-2-hydroxyphenyl)-3,3-dimethylbutanamide?
(2R)-2-amino-N-(3-bromo-2-hydroxyphenyl)-3,3-dimethylbutanamide has a molecular weight of 301.18 g/mol, XLogP of 2.47, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(3-bromo-2-hydroxyphenyl)-3,3-dimethylbutanamide is sourced from PubChem (CID 103930341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).