(2R)-2-amino-N-(2-hydroxy-4-nitrophenyl)-3,3-dimethylbutanamide

C12H17N3O4 — CID 107744218

IUPAC(2R)-2-amino-N-(2-hydroxy-4-nitrophenyl)-3,3-dimethylbutanamide
SMILESCC(C)(C)[C@@H](N)C(=O)Nc1ccc([N+](=O)[O-])cc1O
InChIInChI=1S/C12H17N3O4/c1-12(2,3)10(13)11(17)14-8-5-4-7(15(18)19)6-9(8)16/h4-6,10,16H,13H2,1-3H3,(H,14,17)/t10-/m0/s1
InChIKeyBZRMCKHWRNCAFQ-JTQLQIEISA-N
MW267.29 g/mol
LogP1.61
Rot. Bonds3

About (2R)-2-amino-N-(2-hydroxy-4-nitrophenyl)-3,3-dimethylbutanamide

(2R)-2-amino-N-(2-hydroxy-4-nitrophenyl)-3,3-dimethylbutanamide (PubChem CID 107744218) has the molecular formula C12H17N3O4 and a molecular weight of 267.29 g/mol. Its IUPAC name is (2R)-2-amino-N-(2-hydroxy-4-nitrophenyl)-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(2-hydroxy-4-nitrophenyl)-3,3-dimethylbutanamide
PubChem CID107744218
Molecular FormulaC12H17N3O4
Molecular Weight267.29 g/mol
Exact Mass267.12
IUPAC Name(2R)-2-amino-N-(2-hydroxy-4-nitrophenyl)-3,3-dimethylbutanamide
SMILESCC(C)(C)[C@@H](N)C(=O)Nc1ccc([N+](=O)[O-])cc1O
InChIInChI=1S/C12H17N3O4/c1-12(2,3)10(13)11(17)14-8-5-4-7(15(18)19)6-9(8)16/h4-6,10,16H,13H2,1-3H3,(H,14,17)/t10-/m0/s1
InChIKeyBZRMCKHWRNCAFQ-JTQLQIEISA-N
XLogP1.61
TPSA118.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-N-(2-fluoro-5-nitrophenyl)-3,3-dimethylbutanamide
CID 61155225
(2S)-2-amino-N-(2-hydroxy-4-nitrophenyl)butanamide
CID 107744397
(2R)-2-amino-3,3-dimethyl-N-(4-nitrophenyl)butanamide
CID 103928418
(2S,3S)-2-amino-N-(2-hydroxy-4-nitrophenyl)-3-methylpentanamide
CID 107744120
(2R)-2,3,3,3-tetrafluoro-N-(2-hydroxy-4-nitrophenyl)propanamide
CID 7285095
2-amino-N-(2-hydroxy-4-nitrophenyl)-4-methylsulfonylbutanamide
CID 107744189
(2S)-2-amino-3,3-dimethyl-N-(3-nitrophenyl)butanamide;hydrochloride
CID 119670754
(2S)-2-bromo-N-(2-hydroxy-4-nitrophenyl)butanamide
CID 52904928
N-[(2-hydroxy-4-nitrophenyl)carbamoyl]-2-methylpropanamide
CID 70210043
(2S)-2-amino-N-(4-fluoro-2-nitrophenyl)-3,3-dimethylbutanamide
CID 61179993
2-amino-N-(4-fluoro-2-nitrophenyl)-3,3-dimethylbutanamide
CID 76887834
(2R)-2-amino-N-(4-methoxy-2-nitrophenyl)-3,3-dimethylbutanamide
CID 103928804

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(2-hydroxy-4-nitrophenyl)-3,3-dimethylbutanamide?
The IUPAC name of (2R)-2-amino-N-(2-hydroxy-4-nitrophenyl)-3,3-dimethylbutanamide (CID 107744218) is (2R)-2-amino-N-(2-hydroxy-4-nitrophenyl)-3,3-dimethylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-(2-hydroxy-4-nitrophenyl)-3,3-dimethylbutanamide?
The canonical SMILES for (2R)-2-amino-N-(2-hydroxy-4-nitrophenyl)-3,3-dimethylbutanamide is CC(C)(C)[C@@H](N)C(=O)Nc1ccc([N+](=O)[O-])cc1O.
What is the InChIKey of (2R)-2-amino-N-(2-hydroxy-4-nitrophenyl)-3,3-dimethylbutanamide?
The InChIKey is BZRMCKHWRNCAFQ-JTQLQIEISA-N. The full InChI is InChI=1S/C12H17N3O4/c1-12(2,3)10(13)11(17)14-8-5-4-7(15(18)19)6-9(8)16/h4-6,10,16H,13H2,1-3H3,(H,14,17)/t10-/m0/s1.
What are the key properties of (2R)-2-amino-N-(2-hydroxy-4-nitrophenyl)-3,3-dimethylbutanamide?
(2R)-2-amino-N-(2-hydroxy-4-nitrophenyl)-3,3-dimethylbutanamide has a molecular weight of 267.29 g/mol, XLogP of 1.61, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(2-hydroxy-4-nitrophenyl)-3,3-dimethylbutanamide is sourced from PubChem (CID 107744218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).