2-[4-(dimethylcarbamoyl)anilino]acetic acid

C11H14N2O3 — CID 58044865

IUPAC2-[4-(dimethylcarbamoyl)anilino]acetic acid
SMILESCN(C)C(=O)c1ccc(NCC(=O)O)cc1
InChIInChI=1S/C11H14N2O3/c1-13(2)11(16)8-3-5-9(6-4-8)12-7-10(14)15/h3-6,12H,7H2,1-2H3,(H,14,15)
InChIKeyWWIAFLYBUPBDCW-UHFFFAOYSA-N
MW222.24 g/mol
LogP0.88
Rot. Bonds4

About 2-[4-(dimethylcarbamoyl)anilino]acetic acid

2-[4-(dimethylcarbamoyl)anilino]acetic acid (PubChem CID 58044865) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 2-[4-(dimethylcarbamoyl)anilino]acetic acid.

Molecular Properties

Compound Name2-[4-(dimethylcarbamoyl)anilino]acetic acid
PubChem CID58044865
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name2-[4-(dimethylcarbamoyl)anilino]acetic acid
SMILESCN(C)C(=O)c1ccc(NCC(=O)O)cc1
InChIInChI=1S/C11H14N2O3/c1-13(2)11(16)8-3-5-9(6-4-8)12-7-10(14)15/h3-6,12H,7H2,1-2H3,(H,14,15)
InChIKeyWWIAFLYBUPBDCW-UHFFFAOYSA-N
XLogP0.88
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 ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(dimethylamino)anilino]acetic acid
CID 28744032
4-[[2-[4-(butanoylamino)anilino]acetyl]amino]-N,N-dimethylbenzamide
CID 54837212
N,N'-bis[4-(dimethylcarbamoyl)phenyl]propanediamide
CID 17368155
4-[[2-(3-acetamidoanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 54840537
4-[[2-(4-ethoxyanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 54840736
4-[[2-[4-(dimethylcarbamoyl)anilino]acetyl]amino]-N-propylbenzamide
CID 54840845
4-[(5-bromofuran-2-yl)methylamino]-N,N-dimethylbenzamide
CID 43681973
N-methyl-4-[[2-(N-methylanilino)-2-oxoethyl]amino]-N-phenylbenzamide
CID 54838219
3-[[2-[4-(dimethylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54840717
2-[4-(diethylamino)anilino]acetic acid;dihydrochloride
CID 131880910
2-(4-bromoanilino)acetic acid
CID 6917281
azane;2-(4-hydroxyanilino)acetic acid
CID 70465187

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylcarbamoyl)anilino]acetic acid?
The IUPAC name of 2-[4-(dimethylcarbamoyl)anilino]acetic acid (CID 58044865) is 2-[4-(dimethylcarbamoyl)anilino]acetic acid.
What is the SMILES notation for 2-[4-(dimethylcarbamoyl)anilino]acetic acid?
The canonical SMILES for 2-[4-(dimethylcarbamoyl)anilino]acetic acid is CN(C)C(=O)c1ccc(NCC(=O)O)cc1.
What is the InChIKey of 2-[4-(dimethylcarbamoyl)anilino]acetic acid?
The InChIKey is WWIAFLYBUPBDCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-13(2)11(16)8-3-5-9(6-4-8)12-7-10(14)15/h3-6,12H,7H2,1-2H3,(H,14,15).
What are the key properties of 2-[4-(dimethylcarbamoyl)anilino]acetic acid?
2-[4-(dimethylcarbamoyl)anilino]acetic acid has a molecular weight of 222.24 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylcarbamoyl)anilino]acetic acid is sourced from PubChem (CID 58044865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).