4-[2-(2-nitrophenyl)ethylamino]cyclohexane-1-carboxylic acid

C15H20N2O4 — CID 63064027

IUPAC4-[2-(2-nitrophenyl)ethylamino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(NCCc2ccccc2[N+](=O)[O-])CC1
InChIInChI=1S/C15H20N2O4/c18-15(19)12-5-7-13(8-6-12)16-10-9-11-3-1-2-4-14(11)17(20)21/h1-4,12-13,16H,5-10H2,(H,18,19)
InChIKeyNPROPKRYYSDZRK-UHFFFAOYSA-N
MW292.33 g/mol
LogP2.37
Rot. Bonds6

About 4-[2-(2-nitrophenyl)ethylamino]cyclohexane-1-carboxylic acid

4-[2-(2-nitrophenyl)ethylamino]cyclohexane-1-carboxylic acid (PubChem CID 63064027) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 4-[2-(2-nitrophenyl)ethylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[2-(2-nitrophenyl)ethylamino]cyclohexane-1-carboxylic acid
PubChem CID63064027
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name4-[2-(2-nitrophenyl)ethylamino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(NCCc2ccccc2[N+](=O)[O-])CC1
InChIInChI=1S/C15H20N2O4/c18-15(19)12-5-7-13(8-6-12)16-10-9-11-3-1-2-4-14(11)17(20)21/h1-4,12-13,16H,5-10H2,(H,18,19)
InChIKeyNPROPKRYYSDZRK-UHFFFAOYSA-N
XLogP2.37
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 52.37
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

4-[2-(2-nitrophenyl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122003940
N-[2-(2-nitrophenyl)ethyl]cyclooctanamine
CID 63063998
4-(2-naphthalen-1-ylethylamino)cyclohexane-1-carboxylic acid
CID 122031153
4-[[(2-nitrophenyl)methylamino]methyl]cyclohexane-1-carboxylic acid
CID 5057635
4-[2-(2,3-dichlorophenyl)ethylamino]cyclohexane-1-carboxylic acid
CID 122030535
1-[(2-nitrophenyl)methyl]piperidine-4-carboxylic acid
CID 3450780
1-cyclopropyl-2-(2-nitrophenyl)ethanone
CID 61055692
2,2-dimethyl-N-[2-(2-nitrophenyl)ethyl]oxan-4-amine
CID 83033151
4-(5-phenylpentylamino)cyclohexane-1-carboxylic acid
CID 122030961
N-[2-(2-nitrophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 63062965
N-[3-(cyclopropylamino)propyl]-2-nitrobenzamide
CID 43596318
3-[2-(2-nitrophenyl)ethylamino]propanamide
CID 55146808

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-nitrophenyl)ethylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[2-(2-nitrophenyl)ethylamino]cyclohexane-1-carboxylic acid (CID 63064027) is 4-[2-(2-nitrophenyl)ethylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[2-(2-nitrophenyl)ethylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[2-(2-nitrophenyl)ethylamino]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(NCCc2ccccc2[N+](=O)[O-])CC1.
What is the InChIKey of 4-[2-(2-nitrophenyl)ethylamino]cyclohexane-1-carboxylic acid?
The InChIKey is NPROPKRYYSDZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c18-15(19)12-5-7-13(8-6-12)16-10-9-11-3-1-2-4-14(11)17(20)21/h1-4,12-13,16H,5-10H2,(H,18,19).
What are the key properties of 4-[2-(2-nitrophenyl)ethylamino]cyclohexane-1-carboxylic acid?
4-[2-(2-nitrophenyl)ethylamino]cyclohexane-1-carboxylic acid has a molecular weight of 292.33 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-nitrophenyl)ethylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63064027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).