(2R)-2-hydroxy-2-(4-methyl-3-nitrophenyl)acetic acid

C9H9NO5 — CID 131420861

IUPAC(2R)-2-hydroxy-2-(4-methyl-3-nitrophenyl)acetic acid
SMILESCc1ccc([C@@H](O)C(=O)O)cc1[N+](=O)[O-]
InChIInChI=1S/C9H9NO5/c1-5-2-3-6(8(11)9(12)13)4-7(5)10(14)15/h2-4,8,11H,1H3,(H,12,13)/t8-/m1/s1
InChIKeyWCHJMKPPFCWWGB-MRVPVSSYSA-N
MW211.17 g/mol
LogP1.02
Rot. Bonds3

About (2R)-2-hydroxy-2-(4-methyl-3-nitrophenyl)acetic acid

(2R)-2-hydroxy-2-(4-methyl-3-nitrophenyl)acetic acid (PubChem CID 131420861) has the molecular formula C9H9NO5 and a molecular weight of 211.17 g/mol. Its IUPAC name is (2R)-2-hydroxy-2-(4-methyl-3-nitrophenyl)acetic acid.

Molecular Properties

Compound Name(2R)-2-hydroxy-2-(4-methyl-3-nitrophenyl)acetic acid
PubChem CID131420861
Molecular FormulaC9H9NO5
Molecular Weight211.17 g/mol
Exact Mass211.05
IUPAC Name(2R)-2-hydroxy-2-(4-methyl-3-nitrophenyl)acetic acid
SMILESCc1ccc([C@@H](O)C(=O)O)cc1[N+](=O)[O-]
InChIInChI=1S/C9H9NO5/c1-5-2-3-6(8(11)9(12)13)4-7(5)10(14)15/h2-4,8,11H,1H3,(H,12,13)/t8-/m1/s1
InChIKeyWCHJMKPPFCWWGB-MRVPVSSYSA-N
XLogP1.02
TPSA100.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.17
LogP ≤ 51.02
H-Bond Donors ≤ 52
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

3-hydroxy-2-methyl-3-(4-methyl-3-nitrophenyl)propanoic acid
CID 91648737
(2S)-2-(4-fluoro-3-nitrophenyl)-2-hydroxyacetic acid
CID 131433935
(R)-(4-methyl-3-nitrophenyl)-(4-methylphenyl)methanol
CID 100803998
2-hydroxy-2-(3-methoxy-4-nitrophenyl)acetic acid
CID 134655858
2-hydroxy-2-(3-nitro-4-trimethylsilyloxyphenyl)acetic acid
CID 167740793
CID 158735382
CID 158735382
4-(difluoromethyl)-1-methyl-2-nitrobenzene
CID 90322221
2-(2,4-dimethyl-5-nitrophenyl)-2-hydroxyacetic acid
CID 119002363
(2R)-2-hydroxy-2-(3-hydroxy-4-methylphenyl)acetic acid
CID 57154315
1-(4-methyl-3-nitrophenyl)-3-sulfanylpropane-1,2-diol
CID 170820355
2-[4-[tert-butyl(dimethyl)silyl]oxy-3-nitrophenyl]-2-hydroxyacetic acid
CID 167720163
3,4-dihydroxy-4-(4-methyl-3-nitrophenyl)butanamide
CID 171899653

Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-2-(4-methyl-3-nitrophenyl)acetic acid?
The IUPAC name of (2R)-2-hydroxy-2-(4-methyl-3-nitrophenyl)acetic acid (CID 131420861) is (2R)-2-hydroxy-2-(4-methyl-3-nitrophenyl)acetic acid.
What is the SMILES notation for (2R)-2-hydroxy-2-(4-methyl-3-nitrophenyl)acetic acid?
The canonical SMILES for (2R)-2-hydroxy-2-(4-methyl-3-nitrophenyl)acetic acid is Cc1ccc([C@@H](O)C(=O)O)cc1[N+](=O)[O-].
What is the InChIKey of (2R)-2-hydroxy-2-(4-methyl-3-nitrophenyl)acetic acid?
The InChIKey is WCHJMKPPFCWWGB-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H9NO5/c1-5-2-3-6(8(11)9(12)13)4-7(5)10(14)15/h2-4,8,11H,1H3,(H,12,13)/t8-/m1/s1.
What are the key properties of (2R)-2-hydroxy-2-(4-methyl-3-nitrophenyl)acetic acid?
(2R)-2-hydroxy-2-(4-methyl-3-nitrophenyl)acetic acid has a molecular weight of 211.17 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-2-(4-methyl-3-nitrophenyl)acetic acid is sourced from PubChem (CID 131420861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).