trans-(1R,2R)-2-(4-nitrophenyl)cyclopropane-1-carboxylic acid

C10H9NO4 — CID 12854631

IUPACtrans-(1R,2R)-2-(4-nitrophenyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C10H9NO4/c12-10(13)9-5-8(9)6-1-3-7(4-2-6)11(14)15/h1-4,8-9H,5H2,(H,12,13)/t8-,9+/m0/s1
InChIKeyBIHOAKPNPOGWEV-DTWKUNHWSA-N
MW207.19 g/mol
LogP1.78
Rot. Bonds3

About trans-(1R,2R)-2-(4-nitrophenyl)cyclopropane-1-carboxylic acid

trans-(1R,2R)-2-(4-nitrophenyl)cyclopropane-1-carboxylic acid (PubChem CID 12854631) has the molecular formula C10H9NO4 and a molecular weight of 207.19 g/mol. Its IUPAC name is trans-(1R,2R)-2-(4-nitrophenyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(4-nitrophenyl)cyclopropane-1-carboxylic acid
PubChem CID12854631
Molecular FormulaC10H9NO4
Molecular Weight207.19 g/mol
Exact Mass207.05
IUPAC Nametrans-(1R,2R)-2-(4-nitrophenyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C10H9NO4/c12-10(13)9-5-8(9)6-1-3-7(4-2-6)11(14)15/h1-4,8-9H,5H2,(H,12,13)/t8-,9+/m0/s1
InChIKeyBIHOAKPNPOGWEV-DTWKUNHWSA-N
XLogP1.78
TPSA80.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze trans-(1R,2R)-2-(4-nitrophenyl)cyclopropane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(4-nitrophenyl)cyclopropane-1-carboxylic acid?
The IUPAC name of trans-(1R,2R)-2-(4-nitrophenyl)cyclopropane-1-carboxylic acid (CID 12854631) is trans-(1R,2R)-2-(4-nitrophenyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for trans-(1R,2R)-2-(4-nitrophenyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for trans-(1R,2R)-2-(4-nitrophenyl)cyclopropane-1-carboxylic acid is O=C(O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of trans-(1R,2R)-2-(4-nitrophenyl)cyclopropane-1-carboxylic acid?
The InChIKey is BIHOAKPNPOGWEV-DTWKUNHWSA-N. The full InChI is InChI=1S/C10H9NO4/c12-10(13)9-5-8(9)6-1-3-7(4-2-6)11(14)15/h1-4,8-9H,5H2,(H,12,13)/t8-,9+/m0/s1.
What are the key properties of trans-(1R,2R)-2-(4-nitrophenyl)cyclopropane-1-carboxylic acid?
trans-(1R,2R)-2-(4-nitrophenyl)cyclopropane-1-carboxylic acid has a molecular weight of 207.19 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(4-nitrophenyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 12854631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).