4-[methyl-[2-(methylamino)acetyl]amino]benzoic acid

C11H14N2O3 — CID 18618377

IUPAC4-[methyl-[2-(methylamino)acetyl]amino]benzoic acid
SMILESCNCC(=O)N(C)c1ccc(C(=O)O)cc1
InChIInChI=1S/C11H14N2O3/c1-12-7-10(14)13(2)9-5-3-8(4-6-9)11(15)16/h3-6,12H,7H2,1-2H3,(H,15,16)
InChIKeyZECOUNFJQHEQSC-UHFFFAOYSA-N
MW222.24 g/mol
LogP0.57
Rot. Bonds4

About 4-[methyl-[2-(methylamino)acetyl]amino]benzoic acid

4-[methyl-[2-(methylamino)acetyl]amino]benzoic acid (PubChem CID 18618377) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 4-[methyl-[2-(methylamino)acetyl]amino]benzoic acid.

Molecular Properties

Compound Name4-[methyl-[2-(methylamino)acetyl]amino]benzoic acid
PubChem CID18618377
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name4-[methyl-[2-(methylamino)acetyl]amino]benzoic acid
SMILESCNCC(=O)N(C)c1ccc(C(=O)O)cc1
InChIInChI=1S/C11H14N2O3/c1-12-7-10(14)13(2)9-5-3-8(4-6-9)11(15)16/h3-6,12H,7H2,1-2H3,(H,15,16)
InChIKeyZECOUNFJQHEQSC-UHFFFAOYSA-N
XLogP0.57
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-hydroxyphenyl)-N-methyl-2-(methylamino)acetamide
CID 103606278
N-(4-ethoxyphenyl)-N-methyl-2-(methylamino)acetamide
CID 96672511
N-methyl-2-(methylamino)-N-(4-propan-2-yloxyphenyl)acetamide
CID 96676263
N-(3,4-dimethylphenyl)-N-methyl-2-(methylamino)acetamide;hydrochloride
CID 119741824
N-methyl-2-(methylamino)-N-(4-propoxyphenyl)acetamide
CID 98784031
4-[5-aminopentanoyl(methyl)amino]benzoic acid
CID 104698737
4-[(6-amino-4,4-dimethylhexanoyl)-methylamino]benzoic acid
CID 104698742
4-[methyl-(2-phenylsulfanylacetyl)amino]benzoic acid
CID 104698113
N-(4-cyclopentyloxyphenyl)-N-methyl-2-(methylamino)acetamide
CID 96678158
4-[[2-(2-fluorophenyl)acetyl]-methylamino]benzoic acid
CID 104698060
4-(dimethylamino)benzoic acid;hydrochloride
CID 67236590
CID 69397190
CID 69397190

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[2-(methylamino)acetyl]amino]benzoic acid?
The IUPAC name of 4-[methyl-[2-(methylamino)acetyl]amino]benzoic acid (CID 18618377) is 4-[methyl-[2-(methylamino)acetyl]amino]benzoic acid.
What is the SMILES notation for 4-[methyl-[2-(methylamino)acetyl]amino]benzoic acid?
The canonical SMILES for 4-[methyl-[2-(methylamino)acetyl]amino]benzoic acid is CNCC(=O)N(C)c1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[methyl-[2-(methylamino)acetyl]amino]benzoic acid?
The InChIKey is ZECOUNFJQHEQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-12-7-10(14)13(2)9-5-3-8(4-6-9)11(15)16/h3-6,12H,7H2,1-2H3,(H,15,16).
What are the key properties of 4-[methyl-[2-(methylamino)acetyl]amino]benzoic acid?
4-[methyl-[2-(methylamino)acetyl]amino]benzoic acid has a molecular weight of 222.24 g/mol, XLogP of 0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[2-(methylamino)acetyl]amino]benzoic acid is sourced from PubChem (CID 18618377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).