2-(cyclohexylamino)-5-methoxybenzoic acid

C14H19NO3 — CID 82932893

IUPAC2-(cyclohexylamino)-5-methoxybenzoic acid
SMILESCOc1ccc(NC2CCCCC2)c(C(=O)O)c1
InChIInChI=1S/C14H19NO3/c1-18-11-7-8-13(12(9-11)14(16)17)15-10-5-3-2-4-6-10/h7-10,15H,2-6H2,1H3,(H,16,17)
InChIKeyFFTRMXUMOSIMHF-UHFFFAOYSA-N
MW249.31 g/mol
LogP3.14
Rot. Bonds4

About 2-(cyclohexylamino)-5-methoxybenzoic acid

2-(cyclohexylamino)-5-methoxybenzoic acid (PubChem CID 82932893) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-(cyclohexylamino)-5-methoxybenzoic acid.

Molecular Properties

Compound Name2-(cyclohexylamino)-5-methoxybenzoic acid
PubChem CID82932893
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name2-(cyclohexylamino)-5-methoxybenzoic acid
SMILESCOc1ccc(NC2CCCCC2)c(C(=O)O)c1
InChIInChI=1S/C14H19NO3/c1-18-11-7-8-13(12(9-11)14(16)17)15-10-5-3-2-4-6-10/h7-10,15H,2-6H2,1H3,(H,16,17)
InChIKeyFFTRMXUMOSIMHF-UHFFFAOYSA-N
XLogP3.14
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-(cyclobutylcarbamoylamino)-5-methoxybenzoic acid
CID 115412235
2-(cyclohexylamino)-N-(4-methoxyphenyl)-5-methylbenzamide
CID 71049986
N-cyclohexyl-4-methoxy-2-methylaniline
CID 62867173
N-cyclopentyl-4-methoxy-2-methylaniline
CID 62867512
2-cyclohexyloxy-4-methoxybenzoic acid
CID 61269041
2-(cyclopentylamino)-5-formylbenzoic acid
CID 22467381
methyl 3-(cyclohexylamino)-5-methoxy-2-methylbenzoate
CID 129108901
2-(cyclohexylamino)-5-sulfamoylbenzoic acid
CID 43322683
5-methoxy-2-[[(2S)-piperidine-2-carbonyl]amino]benzoic acid
CID 104914464
5-cyano-2-(cyclopentylamino)benzoic acid
CID 22467532
2-(cyclooctylamino)-4-methylbenzoic acid
CID 63512183
4-(cycloheptylamino)-2-methoxybenzoic acid
CID 107209609

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)-5-methoxybenzoic acid?
The IUPAC name of 2-(cyclohexylamino)-5-methoxybenzoic acid (CID 82932893) is 2-(cyclohexylamino)-5-methoxybenzoic acid.
What is the SMILES notation for 2-(cyclohexylamino)-5-methoxybenzoic acid?
The canonical SMILES for 2-(cyclohexylamino)-5-methoxybenzoic acid is COc1ccc(NC2CCCCC2)c(C(=O)O)c1.
What is the InChIKey of 2-(cyclohexylamino)-5-methoxybenzoic acid?
The InChIKey is FFTRMXUMOSIMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-18-11-7-8-13(12(9-11)14(16)17)15-10-5-3-2-4-6-10/h7-10,15H,2-6H2,1H3,(H,16,17).
What are the key properties of 2-(cyclohexylamino)-5-methoxybenzoic acid?
2-(cyclohexylamino)-5-methoxybenzoic acid has a molecular weight of 249.31 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-5-methoxybenzoic acid is sourced from PubChem (CID 82932893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).