2-aminobenzoic acid;1-aminocyclohexane-1-carboxylic acid

C14H20N2O4 — CID 68655079

IUPAC2-aminobenzoic acid;1-aminocyclohexane-1-carboxylic acid
SMILESNC1(C(=O)O)CCCCC1.Nc1ccccc1C(=O)O
InChIInChI=1S/C7H13NO2.C7H7NO2/c8-7(6(9)10)4-2-1-3-5-7;8-6-4-2-1-3-5(6)7(9)10/h1-5,8H2,(H,9,10);1-4H,8H2,(H,9,10)
InChIKeyRUTAYSCFEUKROU-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.70
Rot. Bonds2

About 2-aminobenzoic acid;1-aminocyclohexane-1-carboxylic acid

2-aminobenzoic acid;1-aminocyclohexane-1-carboxylic acid (PubChem CID 68655079) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-aminobenzoic acid;1-aminocyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-aminobenzoic acid;1-aminocyclohexane-1-carboxylic acid
PubChem CID68655079
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name2-aminobenzoic acid;1-aminocyclohexane-1-carboxylic acid
SMILESNC1(C(=O)O)CCCCC1.Nc1ccccc1C(=O)O
InChIInChI=1S/C7H13NO2.C7H7NO2/c8-7(6(9)10)4-2-1-3-5-7;8-6-4-2-1-3-5(6)7(9)10/h1-5,8H2,(H,9,10);1-4H,8H2,(H,9,10)
InChIKeyRUTAYSCFEUKROU-UHFFFAOYSA-N
XLogP1.70
TPSA126.64 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-aminobenzoic acid;1-aminocyclohexane-1-carboxylic acid?
The IUPAC name of 2-aminobenzoic acid;1-aminocyclohexane-1-carboxylic acid (CID 68655079) is 2-aminobenzoic acid;1-aminocyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-aminobenzoic acid;1-aminocyclohexane-1-carboxylic acid?
The canonical SMILES for 2-aminobenzoic acid;1-aminocyclohexane-1-carboxylic acid is NC1(C(=O)O)CCCCC1.Nc1ccccc1C(=O)O.
What is the InChIKey of 2-aminobenzoic acid;1-aminocyclohexane-1-carboxylic acid?
The InChIKey is RUTAYSCFEUKROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2.C7H7NO2/c8-7(6(9)10)4-2-1-3-5-7;8-6-4-2-1-3-5(6)7(9)10/h1-5,8H2,(H,9,10);1-4H,8H2,(H,9,10).
What are the key properties of 2-aminobenzoic acid;1-aminocyclohexane-1-carboxylic acid?
2-aminobenzoic acid;1-aminocyclohexane-1-carboxylic acid has a molecular weight of 280.32 g/mol, XLogP of 1.70, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminobenzoic acid;1-aminocyclohexane-1-carboxylic acid is sourced from PubChem (CID 68655079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).