2-(cyclooctylamino)-3-methylbenzoic acid

C16H23NO2 — CID 107111851

IUPAC2-(cyclooctylamino)-3-methylbenzoic acid
SMILESCc1cccc(C(=O)O)c1NC1CCCCCCC1
InChIInChI=1S/C16H23NO2/c1-12-8-7-11-14(16(18)19)15(12)17-13-9-5-3-2-4-6-10-13/h7-8,11,13,17H,2-6,9-10H2,1H3,(H,18,19)
InChIKeyBZYXXSCWRRSPBS-UHFFFAOYSA-N
MW261.37 g/mol
LogP4.22
Rot. Bonds3

About 2-(cyclooctylamino)-3-methylbenzoic acid

2-(cyclooctylamino)-3-methylbenzoic acid (PubChem CID 107111851) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-(cyclooctylamino)-3-methylbenzoic acid.

Molecular Properties

Compound Name2-(cyclooctylamino)-3-methylbenzoic acid
PubChem CID107111851
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name2-(cyclooctylamino)-3-methylbenzoic acid
SMILESCc1cccc(C(=O)O)c1NC1CCCCCCC1
InChIInChI=1S/C16H23NO2/c1-12-8-7-11-14(16(18)19)15(12)17-13-9-5-3-2-4-6-10-13/h7-8,11,13,17H,2-6,9-10H2,1H3,(H,18,19)
InChIKeyBZYXXSCWRRSPBS-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

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CID 114124313
2-(cyclohex-3-en-1-ylamino)-3-methylbenzoic acid
CID 107112265
3-(cyclohexylamino)-2-methylbenzoic acid
CID 43737301
2-(cyclobutylamino)-3-methylbenzenecarbothioamide
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2-[[2-(hydroxymethyl)cyclopentyl]amino]-3-methylbenzoic acid
CID 114179226
2-(cyclopropylcarbamoylamino)-3-methylbenzoic acid
CID 61187186
2-N-cyclooctyl-3-methylbenzene-1,2-diamine
CID 115549944
2-(cyclohexylmethylsulfonylamino)-3-methylbenzoic acid
CID 61453613
3-methyl-2-(piperidin-1-ylamino)benzoic acid
CID 107112359
4-chloro-3-(cyclohexylamino)-2,5-dimethylbenzoic acid
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Frequently Asked Questions

What is the IUPAC name of 2-(cyclooctylamino)-3-methylbenzoic acid?
The IUPAC name of 2-(cyclooctylamino)-3-methylbenzoic acid (CID 107111851) is 2-(cyclooctylamino)-3-methylbenzoic acid.
What is the SMILES notation for 2-(cyclooctylamino)-3-methylbenzoic acid?
The canonical SMILES for 2-(cyclooctylamino)-3-methylbenzoic acid is Cc1cccc(C(=O)O)c1NC1CCCCCCC1.
What is the InChIKey of 2-(cyclooctylamino)-3-methylbenzoic acid?
The InChIKey is BZYXXSCWRRSPBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-12-8-7-11-14(16(18)19)15(12)17-13-9-5-3-2-4-6-10-13/h7-8,11,13,17H,2-6,9-10H2,1H3,(H,18,19).
What are the key properties of 2-(cyclooctylamino)-3-methylbenzoic acid?
2-(cyclooctylamino)-3-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)-3-methylbenzoic acid is sourced from PubChem (CID 107111851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).