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

C8H7NO5 — CID 816785

IUPAC(2R)-2-hydroxy-2-(4-nitrophenyl)acetic acid
SMILESO=C(O)[C@H](O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C8H7NO5/c10-7(8(11)12)5-1-3-6(4-2-5)9(13)14/h1-4,7,10H,(H,11,12)/t7-/m1/s1
InChIKeyZSMJZVLXJDNZHG-SSDOTTSWSA-N
MW197.15 g/mol
LogP0.71
Rot. Bonds3

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

(2R)-2-hydroxy-2-(4-nitrophenyl)acetic acid (PubChem CID 816785) has the molecular formula C8H7NO5 and a molecular weight of 197.15 g/mol. Its IUPAC name is (2R)-2-hydroxy-2-(4-nitrophenyl)acetic acid.

Molecular Properties

Compound Name(2R)-2-hydroxy-2-(4-nitrophenyl)acetic acid
PubChem CID816785
Molecular FormulaC8H7NO5
Molecular Weight197.15 g/mol
Exact Mass197.03
IUPAC Name(2R)-2-hydroxy-2-(4-nitrophenyl)acetic acid
SMILESO=C(O)[C@H](O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C8H7NO5/c10-7(8(11)12)5-1-3-6(4-2-5)9(13)14/h1-4,7,10H,(H,11,12)/t7-/m1/s1
InChIKeyZSMJZVLXJDNZHG-SSDOTTSWSA-N
XLogP0.71
TPSA100.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.15
LogP ≤ 50.71
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

CID 6108
CID 6108
CID 4661
CID 4661
CID 102764
CID 102764
CID 9815318
CID 9815318
CID 11138668
CID 11138668
CID 592376
CID 592376
CID 4117200
CID 4117200
CID 6480945
CID 6480945
CID 98422
CID 98422
CID 223373
CID 223373
CID 231892
CID 231892
CID 11368377
CID 11368377

Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-2-(4-nitrophenyl)acetic acid?
The IUPAC name of (2R)-2-hydroxy-2-(4-nitrophenyl)acetic acid (CID 816785) is (2R)-2-hydroxy-2-(4-nitrophenyl)acetic acid.
What is the SMILES notation for (2R)-2-hydroxy-2-(4-nitrophenyl)acetic acid?
The canonical SMILES for (2R)-2-hydroxy-2-(4-nitrophenyl)acetic acid is O=C(O)[C@H](O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (2R)-2-hydroxy-2-(4-nitrophenyl)acetic acid?
The InChIKey is ZSMJZVLXJDNZHG-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H7NO5/c10-7(8(11)12)5-1-3-6(4-2-5)9(13)14/h1-4,7,10H,(H,11,12)/t7-/m1/s1.
What are the key properties of (2R)-2-hydroxy-2-(4-nitrophenyl)acetic acid?
(2R)-2-hydroxy-2-(4-nitrophenyl)acetic acid has a molecular weight of 197.15 g/mol, XLogP of 0.71, 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-nitrophenyl)acetic acid is sourced from PubChem (CID 816785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).