(2R)-2-methyl-2-(4-nitrophenoxy)butanoic acid

C11H13NO5 — CID 46834518

IUPAC(2R)-2-methyl-2-(4-nitrophenoxy)butanoic acid
SMILESCC[C@@](C)(Oc1ccc([N+](=O)[O-])cc1)C(=O)O
InChIInChI=1S/C11H13NO5/c1-3-11(2,10(13)14)17-9-6-4-8(5-7-9)12(15)16/h4-7H,3H2,1-2H3,(H,13,14)/t11-/m1/s1
InChIKeyDGQBTJYKWINBMT-LLVKDONJSA-N
MW239.23 g/mol
LogP2.23
Rot. Bonds5

About (2R)-2-methyl-2-(4-nitrophenoxy)butanoic acid

(2R)-2-methyl-2-(4-nitrophenoxy)butanoic acid (PubChem CID 46834518) has the molecular formula C11H13NO5 and a molecular weight of 239.23 g/mol. Its IUPAC name is (2R)-2-methyl-2-(4-nitrophenoxy)butanoic acid.

Molecular Properties

Compound Name(2R)-2-methyl-2-(4-nitrophenoxy)butanoic acid
PubChem CID46834518
Molecular FormulaC11H13NO5
Molecular Weight239.23 g/mol
Exact Mass239.08
IUPAC Name(2R)-2-methyl-2-(4-nitrophenoxy)butanoic acid
SMILESCC[C@@](C)(Oc1ccc([N+](=O)[O-])cc1)C(=O)O
InChIInChI=1S/C11H13NO5/c1-3-11(2,10(13)14)17-9-6-4-8(5-7-9)12(15)16/h4-7H,3H2,1-2H3,(H,13,14)/t11-/m1/s1
InChIKeyDGQBTJYKWINBMT-LLVKDONJSA-N
XLogP2.23
TPSA89.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-carbamoylphenoxy)-2-methylbutanoic acid
CID 114990324
1-[1-hydroxy-1-(4-nitrophenoxy)propoxy]-1-(4-nitrophenoxy)propan-1-ol
CID 88789772
2,2-dimethyl-6-(4-nitrophenoxy)hexanoic acid
CID 106714337
1-(1,1-diiodoethoxy)-4-nitrobenzene
CID 163767908
1-[1-[1,1-bis(4-nitrophenoxy)ethoxy]-1-(4-nitrophenoxy)ethoxy]-4-nitrobenzene
CID 20979717
2-methyl-2-[[2-(4-nitrophenoxy)acetyl]amino]butanoic acid
CID 79789555
3-methyl-3-(4-nitrophenoxy)-1-phenylbutan-2-one
CID 158264769
3-ethylpentan-3-ol;4-nitrobenzoic acid
CID 71350734
N-(2-methylbutan-2-yl)-2-(4-nitrophenoxy)acetamide
CID 9012174
2-methyl-2-[methyl-[2-(4-nitrophenoxy)acetyl]amino]propanoic acid
CID 62817383
1-[(E)-1-iodo-3,3-dimethylbut-1-en-2-yl]oxy-4-nitrobenzene
CID 10497821
(2R)-2-(4-nitrophenoxy)butanoic acid
CID 7019234

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-2-(4-nitrophenoxy)butanoic acid?
The IUPAC name of (2R)-2-methyl-2-(4-nitrophenoxy)butanoic acid (CID 46834518) is (2R)-2-methyl-2-(4-nitrophenoxy)butanoic acid.
What is the SMILES notation for (2R)-2-methyl-2-(4-nitrophenoxy)butanoic acid?
The canonical SMILES for (2R)-2-methyl-2-(4-nitrophenoxy)butanoic acid is CC[C@@](C)(Oc1ccc([N+](=O)[O-])cc1)C(=O)O.
What is the InChIKey of (2R)-2-methyl-2-(4-nitrophenoxy)butanoic acid?
The InChIKey is DGQBTJYKWINBMT-LLVKDONJSA-N. The full InChI is InChI=1S/C11H13NO5/c1-3-11(2,10(13)14)17-9-6-4-8(5-7-9)12(15)16/h4-7H,3H2,1-2H3,(H,13,14)/t11-/m1/s1.
What are the key properties of (2R)-2-methyl-2-(4-nitrophenoxy)butanoic acid?
(2R)-2-methyl-2-(4-nitrophenoxy)butanoic acid has a molecular weight of 239.23 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-2-(4-nitrophenoxy)butanoic acid is sourced from PubChem (CID 46834518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).