2-amino-6-[[cyclopentyl(methyl)amino]methyl]benzoic acid

C14H20N2O2 — CID 104824298

IUPAC2-amino-6-[[cyclopentyl(methyl)amino]methyl]benzoic acid
SMILESCN(Cc1cccc(N)c1C(=O)O)C1CCCC1
InChIInChI=1S/C14H20N2O2/c1-16(11-6-2-3-7-11)9-10-5-4-8-12(15)13(10)14(17)18/h4-5,8,11H,2-3,6-7,9,15H2,1H3,(H,17,18)
InChIKeyIADPKBFFUQSSSX-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.34
Rot. Bonds4

About 2-amino-6-[[cyclopentyl(methyl)amino]methyl]benzoic acid

2-amino-6-[[cyclopentyl(methyl)amino]methyl]benzoic acid (PubChem CID 104824298) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-amino-6-[[cyclopentyl(methyl)amino]methyl]benzoic acid.

Molecular Properties

Compound Name2-amino-6-[[cyclopentyl(methyl)amino]methyl]benzoic acid
PubChem CID104824298
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-amino-6-[[cyclopentyl(methyl)amino]methyl]benzoic acid
SMILESCN(Cc1cccc(N)c1C(=O)O)C1CCCC1
InChIInChI=1S/C14H20N2O2/c1-16(11-6-2-3-7-11)9-10-5-4-8-12(15)13(10)14(17)18/h4-5,8,11H,2-3,6-7,9,15H2,1H3,(H,17,18)
InChIKeyIADPKBFFUQSSSX-UHFFFAOYSA-N
XLogP2.34
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.34
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

methyl 2-amino-6-[[cyclopentyl(methyl)amino]methyl]benzoate
CID 104824299
methyl 2-amino-6-[[cycloheptyl(methyl)amino]methyl]benzoate
CID 104824398
2-amino-6-[[cyclohexyl(2-hydroxyethyl)amino]methyl]benzoic acid
CID 104824537
2-[[cyclopentyl(methyl)amino]methyl]aniline
CID 43266778
2-amino-6-[[methyl-[(2-methylphenyl)methyl]amino]methyl]benzoic acid
CID 104824358
2-amino-6-[[bis(2-amino-2-oxoethyl)amino]methyl]benzoic acid
CID 104824645
2-[[cyclohexyl(methyl)amino]methyl]-6-nitroaniline
CID 107350720
2-amino-6-[[(4-bromophenyl)methyl-methylamino]methyl]benzoic acid
CID 104824428
3-(2-aminophenyl)-N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]propanamide
CID 120612656
methyl 2-amino-6-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]benzoate
CID 104824404
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-6-aminobenzoic acid
CID 104824402
2-amino-6-[[(3-fluorophenyl)methyl-methylamino]methyl]benzoic acid
CID 104824281

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[[cyclopentyl(methyl)amino]methyl]benzoic acid?
The IUPAC name of 2-amino-6-[[cyclopentyl(methyl)amino]methyl]benzoic acid (CID 104824298) is 2-amino-6-[[cyclopentyl(methyl)amino]methyl]benzoic acid.
What is the SMILES notation for 2-amino-6-[[cyclopentyl(methyl)amino]methyl]benzoic acid?
The canonical SMILES for 2-amino-6-[[cyclopentyl(methyl)amino]methyl]benzoic acid is CN(Cc1cccc(N)c1C(=O)O)C1CCCC1.
What is the InChIKey of 2-amino-6-[[cyclopentyl(methyl)amino]methyl]benzoic acid?
The InChIKey is IADPKBFFUQSSSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-16(11-6-2-3-7-11)9-10-5-4-8-12(15)13(10)14(17)18/h4-5,8,11H,2-3,6-7,9,15H2,1H3,(H,17,18).
What are the key properties of 2-amino-6-[[cyclopentyl(methyl)amino]methyl]benzoic acid?
2-amino-6-[[cyclopentyl(methyl)amino]methyl]benzoic acid has a molecular weight of 248.33 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[[cyclopentyl(methyl)amino]methyl]benzoic acid is sourced from PubChem (CID 104824298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).