2-amino-3-[cyclohexyl(methyl)amino]benzoic acid

C14H20N2O2 — CID 113332437

IUPAC2-amino-3-[cyclohexyl(methyl)amino]benzoic acid
SMILESCN(c1cccc(C(=O)O)c1N)C1CCCCC1
InChIInChI=1S/C14H20N2O2/c1-16(10-6-3-2-4-7-10)12-9-5-8-11(13(12)15)14(17)18/h5,8-10H,2-4,6-7,15H2,1H3,(H,17,18)
InChIKeySLNYNYHVTCPGMZ-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.74
Rot. Bonds3

About 2-amino-3-[cyclohexyl(methyl)amino]benzoic acid

2-amino-3-[cyclohexyl(methyl)amino]benzoic acid (PubChem CID 113332437) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-amino-3-[cyclohexyl(methyl)amino]benzoic acid.

Molecular Properties

Compound Name2-amino-3-[cyclohexyl(methyl)amino]benzoic acid
PubChem CID113332437
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-amino-3-[cyclohexyl(methyl)amino]benzoic acid
SMILESCN(c1cccc(C(=O)O)c1N)C1CCCCC1
InChIInChI=1S/C14H20N2O2/c1-16(10-6-3-2-4-7-10)12-9-5-8-11(13(12)15)14(17)18/h5,8-10H,2-4,6-7,15H2,1H3,(H,17,18)
InChIKeySLNYNYHVTCPGMZ-UHFFFAOYSA-N
XLogP2.74
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[cycloheptyl(methyl)amino]-2-nitrobenzoic acid
CID 115542201
1-[2-[cyclohexyl(methyl)amino]phenyl]ethanone
CID 43176964
3-chloro-1-N-cyclohexyl-1-N-methylbenzene-1,2-diamine
CID 104833893
2-chloro-6-[cycloheptyl(methyl)amino]benzoic acid
CID 43614200
2-chloro-6-[cyclopentyl(methyl)amino]benzoic acid
CID 43267297
N-cyclohexyl-2-[cyclopropyl(methyl)amino]-N-methylbenzamide
CID 174458205
3-[cycloheptyl(methyl)amino]benzoic acid
CID 102822720
3-amino-4-[cyclohexyl(methyl)amino]benzoic acid
CID 54888169
2-amino-3-[methyl(thiolan-3-yl)amino]benzamide
CID 115544771
2-N-cyclopentyl-2-N-methylbenzene-1,2-diamine
CID 43266943
2-amino-3-[1-hydroxypropan-2-yl(methyl)amino]benzoic acid
CID 104553690
2-[cycloheptyl(methyl)amino]-N'-hydroxybenzenecarboximidamide
CID 43614103

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[cyclohexyl(methyl)amino]benzoic acid?
The IUPAC name of 2-amino-3-[cyclohexyl(methyl)amino]benzoic acid (CID 113332437) is 2-amino-3-[cyclohexyl(methyl)amino]benzoic acid.
What is the SMILES notation for 2-amino-3-[cyclohexyl(methyl)amino]benzoic acid?
The canonical SMILES for 2-amino-3-[cyclohexyl(methyl)amino]benzoic acid is CN(c1cccc(C(=O)O)c1N)C1CCCCC1.
What is the InChIKey of 2-amino-3-[cyclohexyl(methyl)amino]benzoic acid?
The InChIKey is SLNYNYHVTCPGMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-16(10-6-3-2-4-7-10)12-9-5-8-11(13(12)15)14(17)18/h5,8-10H,2-4,6-7,15H2,1H3,(H,17,18).
What are the key properties of 2-amino-3-[cyclohexyl(methyl)amino]benzoic acid?
2-amino-3-[cyclohexyl(methyl)amino]benzoic acid has a molecular weight of 248.33 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[cyclohexyl(methyl)amino]benzoic acid is sourced from PubChem (CID 113332437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).