2-(cyclohexylamino)benzoic acid

C13H17NO2 — CID 19826721

IUPAC2-(cyclohexylamino)benzoic acid
SMILESO=C(O)c1ccccc1NC1CCCCC1
InChIInChI=1S/C13H17NO2/c15-13(16)11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h4-5,8-10,14H,1-3,6-7H2,(H,15,16)
InChIKeyJSXMFCCPQQJLCR-UHFFFAOYSA-N
MW219.28 g/mol
LogP3.13
Rot. Bonds3

About 2-(cyclohexylamino)benzoic acid

2-(cyclohexylamino)benzoic acid (PubChem CID 19826721) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 2-(cyclohexylamino)benzoic acid.

Molecular Properties

Compound Name2-(cyclohexylamino)benzoic acid
PubChem CID19826721
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name2-(cyclohexylamino)benzoic acid
SMILESO=C(O)c1ccccc1NC1CCCCC1
InChIInChI=1S/C13H17NO2/c15-13(16)11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h4-5,8-10,14H,1-3,6-7H2,(H,15,16)
InChIKeyJSXMFCCPQQJLCR-UHFFFAOYSA-N
XLogP3.13
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)benzoic acid?
The IUPAC name of 2-(cyclohexylamino)benzoic acid (CID 19826721) is 2-(cyclohexylamino)benzoic acid.
What is the SMILES notation for 2-(cyclohexylamino)benzoic acid?
The canonical SMILES for 2-(cyclohexylamino)benzoic acid is O=C(O)c1ccccc1NC1CCCCC1.
What is the InChIKey of 2-(cyclohexylamino)benzoic acid?
The InChIKey is JSXMFCCPQQJLCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c15-13(16)11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h4-5,8-10,14H,1-3,6-7H2,(H,15,16).
What are the key properties of 2-(cyclohexylamino)benzoic acid?
2-(cyclohexylamino)benzoic acid has a molecular weight of 219.28 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)benzoic acid is sourced from PubChem (CID 19826721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).