3-hydroxy-1-(4-nitrophenyl)cyclobutane-1-carboxylic acid

C11H11NO5 — CID 103193801

IUPAC3-hydroxy-1-(4-nitrophenyl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(c2ccc([N+](=O)[O-])cc2)CC(O)C1
InChIInChI=1S/C11H11NO5/c13-9-5-11(6-9,10(14)15)7-1-3-8(4-2-7)12(16)17/h1-4,9,13H,5-6H2,(H,14,15)
InChIKeyHSBKFEROXGDGKG-UHFFFAOYSA-N
MW237.21 g/mol
LogP1.07
Rot. Bonds3

About 3-hydroxy-1-(4-nitrophenyl)cyclobutane-1-carboxylic acid

3-hydroxy-1-(4-nitrophenyl)cyclobutane-1-carboxylic acid (PubChem CID 103193801) has the molecular formula C11H11NO5 and a molecular weight of 237.21 g/mol. Its IUPAC name is 3-hydroxy-1-(4-nitrophenyl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name3-hydroxy-1-(4-nitrophenyl)cyclobutane-1-carboxylic acid
PubChem CID103193801
Molecular FormulaC11H11NO5
Molecular Weight237.21 g/mol
Exact Mass237.06
IUPAC Name3-hydroxy-1-(4-nitrophenyl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(c2ccc([N+](=O)[O-])cc2)CC(O)C1
InChIInChI=1S/C11H11NO5/c13-9-5-11(6-9,10(14)15)7-1-3-8(4-2-7)12(16)17/h1-4,9,13H,5-6H2,(H,14,15)
InChIKeyHSBKFEROXGDGKG-UHFFFAOYSA-N
XLogP1.07
TPSA100.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.21
LogP ≤ 51.07
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

1-(4-nitrophenyl)-2-phenylcyclopropane-1-carboxylic acid
CID 14787788
(2S,3S)-2,3-bis(4-nitrophenyl)oxirane-2,3-dicarboxylic acid
CID 87672796
1-[4-(3-nitrophenyl)phenyl]cyclopropane-1-carboxylic acid
CID 82039214
[2,3-dimethyl-1-(4-nitrophenyl)cyclobutyl]methanol
CID 67560752
[(2R)-2-(4-nitrophenyl)aziridin-2-yl]methanol
CID 142235254
4-tert-butylcyclohexan-1-ol;4-nitrobenzoic acid
CID 71403785
[1-(4-nitrophenyl)cyclobutyl]carbamic acid
CID 138543925
N-(3-nitrophenyl)-1-(4-nitrophenyl)cyclopentane-1-carboxamide
CID 3120388
(5S,7R)-3-(4-nitrophenyl)adamantane-1-carboxylate
CID 6923756
carbonic acid;nitrobenzene
CID 158100196
carbonic acid;nitrobenzene
CID 68662598
1-(2-amino-5-nitrophenyl)cyclohexane-1-carboxylic acid
CID 106702474

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-(4-nitrophenyl)cyclobutane-1-carboxylic acid?
The IUPAC name of 3-hydroxy-1-(4-nitrophenyl)cyclobutane-1-carboxylic acid (CID 103193801) is 3-hydroxy-1-(4-nitrophenyl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 3-hydroxy-1-(4-nitrophenyl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 3-hydroxy-1-(4-nitrophenyl)cyclobutane-1-carboxylic acid is O=C(O)C1(c2ccc([N+](=O)[O-])cc2)CC(O)C1.
What is the InChIKey of 3-hydroxy-1-(4-nitrophenyl)cyclobutane-1-carboxylic acid?
The InChIKey is HSBKFEROXGDGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO5/c13-9-5-11(6-9,10(14)15)7-1-3-8(4-2-7)12(16)17/h1-4,9,13H,5-6H2,(H,14,15).
What are the key properties of 3-hydroxy-1-(4-nitrophenyl)cyclobutane-1-carboxylic acid?
3-hydroxy-1-(4-nitrophenyl)cyclobutane-1-carboxylic acid has a molecular weight of 237.21 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-(4-nitrophenyl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 103193801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).