5-(dimethylamino)-2-(2,2-dimethylpropanoylamino)benzoic acid

C14H20N2O3 — CID 50782899

IUPAC5-(dimethylamino)-2-(2,2-dimethylpropanoylamino)benzoic acid
SMILESCN(C)c1ccc(NC(=O)C(C)(C)C)c(C(=O)O)c1
InChIInChI=1S/C14H20N2O3/c1-14(2,3)13(19)15-11-7-6-9(16(4)5)8-10(11)12(17)18/h6-8H,1-5H3,(H,15,19)(H,17,18)
InChIKeyQLVUJYPVJFDXAA-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.44
Rot. Bonds3

About 5-(dimethylamino)-2-(2,2-dimethylpropanoylamino)benzoic acid

5-(dimethylamino)-2-(2,2-dimethylpropanoylamino)benzoic acid (PubChem CID 50782899) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 5-(dimethylamino)-2-(2,2-dimethylpropanoylamino)benzoic acid.

Molecular Properties

Compound Name5-(dimethylamino)-2-(2,2-dimethylpropanoylamino)benzoic acid
PubChem CID50782899
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name5-(dimethylamino)-2-(2,2-dimethylpropanoylamino)benzoic acid
SMILESCN(C)c1ccc(NC(=O)C(C)(C)C)c(C(=O)O)c1
InChIInChI=1S/C14H20N2O3/c1-14(2,3)13(19)15-11-7-6-9(16(4)5)8-10(11)12(17)18/h6-8H,1-5H3,(H,15,19)(H,17,18)
InChIKeyQLVUJYPVJFDXAA-UHFFFAOYSA-N
XLogP2.44
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropanecarbonylamino)-5-(dimethylamino)benzoic acid
CID 50782758
N-[2-acetyl-4-(dimethylamino)phenyl]acetamide
CID 15087824
5-(dimethylamino)-2-(pentanoylamino)benzoic acid
CID 50782826
2-[(2-chlorobenzoyl)amino]-5-(dimethylamino)benzoic acid
CID 50781021
N-(2-acetyl-4-bromophenyl)-2,2-dimethylpropanamide
CID 11289508
N-[4-(dimethylamino)-2-methylphenyl]-2-methyl-2-(methylamino)propanamide
CID 55122413
4-(2,2-dimethylpropanoylamino)-3-hydroxybenzoic acid
CID 55024977
2-(2,2-dimethylbutanoylamino)-5-iodobenzoic acid
CID 55178842
2-(2,2-dimethylpropanoylamino)-5-[4-(4-methoxyphenyl)piperazin-1-yl]benzoic acid
CID 50782170
2-(2,2-dimethylpropanoylamino)-4,5-bis(2-methoxyethoxy)benzoic acid
CID 141326742
2-(2,2-dimethylpropanoylamino)-4-(trifluoromethyl)benzoic acid
CID 79532501
2-amino-N-[4-(dimethylamino)-2-methylphenyl]-2-methylbutanamide
CID 79797795

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-2-(2,2-dimethylpropanoylamino)benzoic acid?
The IUPAC name of 5-(dimethylamino)-2-(2,2-dimethylpropanoylamino)benzoic acid (CID 50782899) is 5-(dimethylamino)-2-(2,2-dimethylpropanoylamino)benzoic acid.
What is the SMILES notation for 5-(dimethylamino)-2-(2,2-dimethylpropanoylamino)benzoic acid?
The canonical SMILES for 5-(dimethylamino)-2-(2,2-dimethylpropanoylamino)benzoic acid is CN(C)c1ccc(NC(=O)C(C)(C)C)c(C(=O)O)c1.
What is the InChIKey of 5-(dimethylamino)-2-(2,2-dimethylpropanoylamino)benzoic acid?
The InChIKey is QLVUJYPVJFDXAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-14(2,3)13(19)15-11-7-6-9(16(4)5)8-10(11)12(17)18/h6-8H,1-5H3,(H,15,19)(H,17,18).
What are the key properties of 5-(dimethylamino)-2-(2,2-dimethylpropanoylamino)benzoic acid?
5-(dimethylamino)-2-(2,2-dimethylpropanoylamino)benzoic acid has a molecular weight of 264.32 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-2-(2,2-dimethylpropanoylamino)benzoic acid is sourced from PubChem (CID 50782899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).