nitro (2R)-2-hydroxy-2-phenylacetate

C8H7NO5 — CID 174469907

IUPACnitro (2R)-2-hydroxy-2-phenylacetate
SMILESO=C(O[N+](=O)[O-])[C@H](O)c1ccccc1
InChIInChI=1S/C8H7NO5/c10-7(8(11)14-9(12)13)6-4-2-1-3-5-6/h1-5,7,10H/t7-/m1/s1
InChIKeyPEGGHSGLAJKYCW-SSDOTTSWSA-N
MW197.15 g/mol
LogP0.45
Rot. Bonds3

About nitro (2R)-2-hydroxy-2-phenylacetate

nitro (2R)-2-hydroxy-2-phenylacetate (PubChem CID 174469907) has the molecular formula C8H7NO5 and a molecular weight of 197.15 g/mol. Its IUPAC name is nitro (2R)-2-hydroxy-2-phenylacetate.

Molecular Properties

Compound Namenitro (2R)-2-hydroxy-2-phenylacetate
PubChem CID174469907
Molecular FormulaC8H7NO5
Molecular Weight197.15 g/mol
Exact Mass197.03
IUPAC Namenitro (2R)-2-hydroxy-2-phenylacetate
SMILESO=C(O[N+](=O)[O-])[C@H](O)c1ccccc1
InChIInChI=1S/C8H7NO5/c10-7(8(11)14-9(12)13)6-4-2-1-3-5-6/h1-5,7,10H/t7-/m1/s1
InChIKeyPEGGHSGLAJKYCW-SSDOTTSWSA-N
XLogP0.45
TPSA89.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.15
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-hydroxy-2-phenylacetyl) 2-hydroxy-2-phenylacetate
CID 14706693
nitro 2-phenylbutanoate
CID 69413805
bis[[(2R)-2-hydroxy-2-phenylacetyl]oxy]gallanyl 2-hydroxy-2-phenylacetate
CID 140596039
phenyl (2R)-2-hydroxy-2-phenylacetate
CID 15685596
chloromethyl 2-hydroxy-2-phenylacetate
CID 123324758
ethyl 2-hydroxy-2-phenylacetate
CID 90673198
(2R)-2-hydroxy-2-phenylacetic acid
CID 139040954
2-((1,2,3,4,5,6-13C6)cyclohexatrienyl)-2-hydroxyacetic acid
CID 11019130
10-(2-hydroxy-2-phenylacetyl)oxydecyl 2-hydroxy-2-phenylacetate
CID 123268996
(2R)-2-(2-hydroxy-2-phenylacetyl)oxy-2-phenylacetic acid
CID 54256901
benzyl (2R)-2-hydroxy-2-phenylacetate
CID 853755
[(2R)-2-hydroxy-2-phenylacetyl] benzoate
CID 139898238

Frequently Asked Questions

What is the IUPAC name of nitro (2R)-2-hydroxy-2-phenylacetate?
The IUPAC name of nitro (2R)-2-hydroxy-2-phenylacetate (CID 174469907) is nitro (2R)-2-hydroxy-2-phenylacetate.
What is the SMILES notation for nitro (2R)-2-hydroxy-2-phenylacetate?
The canonical SMILES for nitro (2R)-2-hydroxy-2-phenylacetate is O=C(O[N+](=O)[O-])[C@H](O)c1ccccc1.
What is the InChIKey of nitro (2R)-2-hydroxy-2-phenylacetate?
The InChIKey is PEGGHSGLAJKYCW-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H7NO5/c10-7(8(11)14-9(12)13)6-4-2-1-3-5-6/h1-5,7,10H/t7-/m1/s1.
What are the key properties of nitro (2R)-2-hydroxy-2-phenylacetate?
nitro (2R)-2-hydroxy-2-phenylacetate has a molecular weight of 197.15 g/mol, XLogP of 0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for nitro (2R)-2-hydroxy-2-phenylacetate is sourced from PubChem (CID 174469907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).