2-(cyclooctylamino)-4-methylbenzoic acid

C16H23NO2 — CID 63512183

IUPAC2-(cyclooctylamino)-4-methylbenzoic acid
SMILESCc1ccc(C(=O)O)c(NC2CCCCCCC2)c1
InChIInChI=1S/C16H23NO2/c1-12-9-10-14(16(18)19)15(11-12)17-13-7-5-3-2-4-6-8-13/h9-11,13,17H,2-8H2,1H3,(H,18,19)
InChIKeyGXIYPXCRYHYHBN-UHFFFAOYSA-N
MW261.37 g/mol
LogP4.22
Rot. Bonds3

About 2-(cyclooctylamino)-4-methylbenzoic acid

2-(cyclooctylamino)-4-methylbenzoic acid (PubChem CID 63512183) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-(cyclooctylamino)-4-methylbenzoic acid.

Molecular Properties

Compound Name2-(cyclooctylamino)-4-methylbenzoic acid
PubChem CID63512183
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name2-(cyclooctylamino)-4-methylbenzoic acid
SMILESCc1ccc(C(=O)O)c(NC2CCCCCCC2)c1
InChIInChI=1S/C16H23NO2/c1-12-9-10-14(16(18)19)15(11-12)17-13-7-5-3-2-4-6-8-13/h9-11,13,17H,2-8H2,1H3,(H,18,19)
InChIKeyGXIYPXCRYHYHBN-UHFFFAOYSA-N
XLogP4.22
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclopentylamino)-4-methylbenzoic acid
CID 62710261
4-methyl-2-[(1-methylpiperidin-4-yl)amino]benzoic acid
CID 62709432
2-(cyclopentylamino)-4-fluorobenzoic acid
CID 82933177
3-(cyclohexylamino)-2-methylbenzoic acid
CID 43737301
2-[[2-(hydroxymethyl)cyclopentyl]amino]-4-methylbenzoic acid
CID 106361825
2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-4-methylbenzoic acid
CID 62711181
2-(cyclohexylamino)-4,5-difluorobenzoic acid
CID 82933532
methyl 2-(cyclopentylamino)-5-methylbenzoate
CID 43679174
5-(cyclohexylamino)-2-methylbenzoic acid
CID 82932718
4-methyl-2-(piperidin-4-ylamino)benzamide
CID 62308857
2-(cyclohexylamino)-5-methoxybenzoic acid
CID 82932893
5-[2-(cyclohexylamino)phenyl]-2-methylbenzene-1,3-dicarboxylic acid
CID 150554381

Frequently Asked Questions

What is the IUPAC name of 2-(cyclooctylamino)-4-methylbenzoic acid?
The IUPAC name of 2-(cyclooctylamino)-4-methylbenzoic acid (CID 63512183) is 2-(cyclooctylamino)-4-methylbenzoic acid.
What is the SMILES notation for 2-(cyclooctylamino)-4-methylbenzoic acid?
The canonical SMILES for 2-(cyclooctylamino)-4-methylbenzoic acid is Cc1ccc(C(=O)O)c(NC2CCCCCCC2)c1.
What is the InChIKey of 2-(cyclooctylamino)-4-methylbenzoic acid?
The InChIKey is GXIYPXCRYHYHBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-12-9-10-14(16(18)19)15(11-12)17-13-7-5-3-2-4-6-8-13/h9-11,13,17H,2-8H2,1H3,(H,18,19).
What are the key properties of 2-(cyclooctylamino)-4-methylbenzoic acid?
2-(cyclooctylamino)-4-methylbenzoic acid has a molecular weight of 261.37 g/mol, XLogP of 4.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclooctylamino)-4-methylbenzoic acid is sourced from PubChem (CID 63512183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).