2-[cyclohexyl(methyl)amino]-2-(2-nitrophenyl)acetic acid

C15H20N2O4 — CID 84749144

IUPAC2-[cyclohexyl(methyl)amino]-2-(2-nitrophenyl)acetic acid
SMILESCN(C1CCCCC1)C(C(=O)O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H20N2O4/c1-16(11-7-3-2-4-8-11)14(15(18)19)12-9-5-6-10-13(12)17(20)21/h5-6,9-11,14H,2-4,7-8H2,1H3,(H,18,19)
InChIKeyVIUAIDZCQTZZEI-UHFFFAOYSA-N
MW292.33 g/mol
LogP2.98
Rot. Bonds5

About 2-[cyclohexyl(methyl)amino]-2-(2-nitrophenyl)acetic acid

2-[cyclohexyl(methyl)amino]-2-(2-nitrophenyl)acetic acid (PubChem CID 84749144) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 2-[cyclohexyl(methyl)amino]-2-(2-nitrophenyl)acetic acid.

Molecular Properties

Compound Name2-[cyclohexyl(methyl)amino]-2-(2-nitrophenyl)acetic acid
PubChem CID84749144
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name2-[cyclohexyl(methyl)amino]-2-(2-nitrophenyl)acetic acid
SMILESCN(C1CCCCC1)C(C(=O)O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H20N2O4/c1-16(11-7-3-2-4-8-11)14(15(18)19)12-9-5-6-10-13(12)17(20)21/h5-6,9-11,14H,2-4,7-8H2,1H3,(H,18,19)
InChIKeyVIUAIDZCQTZZEI-UHFFFAOYSA-N
XLogP2.98
TPSA83.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 52.98
H-Bond Donors ≤ 51
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

2-(dimethylamino)-2-(2-nitrophenyl)acetic acid
CID 84749158
2-(2-nitrophenyl)propanedioic acid
CID 18413218
(R)-cyclopentyl-(2-nitrophenyl)methanol
CID 125472167
2-[butyl(ethyl)amino]-2-(2-nitrophenyl)acetic acid
CID 84749136
(E)-N-cyclohexyl-N-methyl-3-(2-nitrophenyl)prop-2-enamide
CID 18102009
3-[cycloheptyl(methyl)amino]-4-nitrobenzoic acid
CID 82769878
(2S)-2-bromo-2-(2-nitrophenyl)acetic acid
CID 97170538
(2S)-2-(2-nitrophenyl)butanoic acid
CID 93333341
N-cyclohexylcyclohexanamine;(2R)-2-[(2-nitrophenyl)sulfanylamino]propanoic acid
CID 133126775
3-amino-2-(2-nitrophenyl)butanoic acid
CID 67114561
2-[methyl-(3-methylcyclohexyl)amino]-2-phenylacetic acid
CID 61446146
2-methyl-2-[methyl-[1-(2-nitrophenyl)ethyl]amino]propanoic acid
CID 65060790

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(methyl)amino]-2-(2-nitrophenyl)acetic acid?
The IUPAC name of 2-[cyclohexyl(methyl)amino]-2-(2-nitrophenyl)acetic acid (CID 84749144) is 2-[cyclohexyl(methyl)amino]-2-(2-nitrophenyl)acetic acid.
What is the SMILES notation for 2-[cyclohexyl(methyl)amino]-2-(2-nitrophenyl)acetic acid?
The canonical SMILES for 2-[cyclohexyl(methyl)amino]-2-(2-nitrophenyl)acetic acid is CN(C1CCCCC1)C(C(=O)O)c1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-[cyclohexyl(methyl)amino]-2-(2-nitrophenyl)acetic acid?
The InChIKey is VIUAIDZCQTZZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-16(11-7-3-2-4-8-11)14(15(18)19)12-9-5-6-10-13(12)17(20)21/h5-6,9-11,14H,2-4,7-8H2,1H3,(H,18,19).
What are the key properties of 2-[cyclohexyl(methyl)amino]-2-(2-nitrophenyl)acetic acid?
2-[cyclohexyl(methyl)amino]-2-(2-nitrophenyl)acetic acid has a molecular weight of 292.33 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(methyl)amino]-2-(2-nitrophenyl)acetic acid is sourced from PubChem (CID 84749144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).