2-[methyl(2-methylpropanoyl)amino]benzoic acid

C12H15NO3 — CID 16770720

IUPAC2-[methyl(2-methylpropanoyl)amino]benzoic acid
SMILESCC(C)C(=O)N(C)c1ccccc1C(=O)O
InChIInChI=1S/C12H15NO3/c1-8(2)11(14)13(3)10-7-5-4-6-9(10)12(15)16/h4-8H,1-3H3,(H,15,16)
InChIKeyLGTOVKUYYMRXCA-UHFFFAOYSA-N
MW221.26 g/mol
LogP2.00
Rot. Bonds3

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

2-[methyl(2-methylpropanoyl)amino]benzoic acid (PubChem CID 16770720) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-[methyl(2-methylpropanoyl)amino]benzoic acid.

Molecular Properties

Compound Name2-[methyl(2-methylpropanoyl)amino]benzoic acid
PubChem CID16770720
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name2-[methyl(2-methylpropanoyl)amino]benzoic acid
SMILESCC(C)C(=O)N(C)c1ccccc1C(=O)O
InChIInChI=1S/C12H15NO3/c1-8(2)11(14)13(3)10-7-5-4-6-9(10)12(15)16/h4-8H,1-3H3,(H,15,16)
InChIKeyLGTOVKUYYMRXCA-UHFFFAOYSA-N
XLogP2.00
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2,2-difluoroacetyl)-methylamino]benzoic acid
CID 103513102
2-[carboxy(methyl)amino]benzoic acid
CID 54515351
2-[methyl-[2-methyl-3-(methylamino)propanoyl]amino]benzoic acid
CID 79201991
2-[methyl-[methyl(pentan-3-yl)carbamoyl]amino]benzoic acid
CID 61201956
N-(2-iodophenyl)-N,2-dimethylpropanamide
CID 11483497
2-[(2-amino-4-methylsulfonylbutanoyl)-methylamino]benzoic acid
CID 61157495
2-[[2-(2-hydroxyphenyl)acetyl]-methylamino]benzoic acid
CID 80743167
2-(dimethylamino)benzoic acid;ethene
CID 157119009
2-[carboxy(propan-2-yl)amino]benzoic acid
CID 69006407
2-[(2-aminobenzoyl)-methylamino]benzoic acid
CID 12819851
2-[methyl-(4-methylpiperazine-1-carbonyl)amino]benzoic acid
CID 61186798
2-[methyl(3-methylbutyl)amino]benzoic acid
CID 61428885

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(2-methylpropanoyl)amino]benzoic acid?
The IUPAC name of 2-[methyl(2-methylpropanoyl)amino]benzoic acid (CID 16770720) is 2-[methyl(2-methylpropanoyl)amino]benzoic acid.
What is the SMILES notation for 2-[methyl(2-methylpropanoyl)amino]benzoic acid?
The canonical SMILES for 2-[methyl(2-methylpropanoyl)amino]benzoic acid is CC(C)C(=O)N(C)c1ccccc1C(=O)O.
What is the InChIKey of 2-[methyl(2-methylpropanoyl)amino]benzoic acid?
The InChIKey is LGTOVKUYYMRXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-8(2)11(14)13(3)10-7-5-4-6-9(10)12(15)16/h4-8H,1-3H3,(H,15,16).
What are the key properties of 2-[methyl(2-methylpropanoyl)amino]benzoic acid?
2-[methyl(2-methylpropanoyl)amino]benzoic acid has a molecular weight of 221.26 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(2-methylpropanoyl)amino]benzoic acid is sourced from PubChem (CID 16770720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).