2-[carboxy(methyl)amino]benzoic acid

C9H9NO4 — CID 54515351

IUPAC2-[carboxy(methyl)amino]benzoic acid
SMILESCN(C(=O)O)c1ccccc1C(=O)O
InChIInChI=1S/C9H9NO4/c1-10(9(13)14)7-5-3-2-4-6(7)8(11)12/h2-5H,1H3,(H,11,12)(H,13,14)
InChIKeyZFOXUSLPVYCCRX-UHFFFAOYSA-N
MW195.17 g/mol
LogP1.50
Rot. Bonds2

About 2-[carboxy(methyl)amino]benzoic acid

2-[carboxy(methyl)amino]benzoic acid (PubChem CID 54515351) has the molecular formula C9H9NO4 and a molecular weight of 195.17 g/mol. Its IUPAC name is 2-[carboxy(methyl)amino]benzoic acid.

Molecular Properties

Compound Name2-[carboxy(methyl)amino]benzoic acid
PubChem CID54515351
Molecular FormulaC9H9NO4
Molecular Weight195.17 g/mol
Exact Mass195.05
IUPAC Name2-[carboxy(methyl)amino]benzoic acid
SMILESCN(C(=O)O)c1ccccc1C(=O)O
InChIInChI=1S/C9H9NO4/c1-10(9(13)14)7-5-3-2-4-6(7)8(11)12/h2-5H,1H3,(H,11,12)(H,13,14)
InChIKeyZFOXUSLPVYCCRX-UHFFFAOYSA-N
XLogP1.50
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.17
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[methyl(2-methylpropanoyl)amino]benzoic acid
CID 16770720
2-[(2,2-difluoroacetyl)-methylamino]benzoic acid
CID 103513102
2-(dimethylamino)benzoic acid;ethene
CID 157119009
2-[(2-aminobenzoyl)-methylamino]benzoic acid
CID 12819851
2-[[2-(2-hydroxyphenyl)acetyl]-methylamino]benzoic acid
CID 80743167
2-[[4-(dimethylamino)benzoyl]-methylamino]benzoic acid
CID 43823080
2-[2,2-dimethylbutanoyl(methyl)amino]benzoic acid
CID 55102859
2-[methyl-[methyl(pentan-3-yl)carbamoyl]amino]benzoic acid
CID 61201956
2-[carboxy(propan-2-yl)amino]benzoic acid
CID 69006407
2-[methyl-(4-methylpiperazine-1-carbonyl)amino]benzoic acid
CID 61186798
2-[(3-amino-3-methylbutanoyl)-methylamino]benzoic acid
CID 64677769
2-[3-methoxypropanoyl(methyl)amino]benzoic acid
CID 55023389

Frequently Asked Questions

What is the IUPAC name of 2-[carboxy(methyl)amino]benzoic acid?
The IUPAC name of 2-[carboxy(methyl)amino]benzoic acid (CID 54515351) is 2-[carboxy(methyl)amino]benzoic acid.
What is the SMILES notation for 2-[carboxy(methyl)amino]benzoic acid?
The canonical SMILES for 2-[carboxy(methyl)amino]benzoic acid is CN(C(=O)O)c1ccccc1C(=O)O.
What is the InChIKey of 2-[carboxy(methyl)amino]benzoic acid?
The InChIKey is ZFOXUSLPVYCCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO4/c1-10(9(13)14)7-5-3-2-4-6(7)8(11)12/h2-5H,1H3,(H,11,12)(H,13,14).
What are the key properties of 2-[carboxy(methyl)amino]benzoic acid?
2-[carboxy(methyl)amino]benzoic acid has a molecular weight of 195.17 g/mol, XLogP of 1.50, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxy(methyl)amino]benzoic acid is sourced from PubChem (CID 54515351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).