2-[2-[2-(dimethylamino)anilino]-2-oxoethoxy]acetic acid

C12H16N2O4 — CID 61326887

IUPAC2-[2-[2-(dimethylamino)anilino]-2-oxoethoxy]acetic acid
SMILESCN(C)c1ccccc1NC(=O)COCC(=O)O
InChIInChI=1S/C12H16N2O4/c1-14(2)10-6-4-3-5-9(10)13-11(15)7-18-8-12(16)17/h3-6H,7-8H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyXFFIASAIKYKAJC-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.79
Rot. Bonds6

About 2-[2-[2-(dimethylamino)anilino]-2-oxoethoxy]acetic acid

2-[2-[2-(dimethylamino)anilino]-2-oxoethoxy]acetic acid (PubChem CID 61326887) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-[2-[2-(dimethylamino)anilino]-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[2-(dimethylamino)anilino]-2-oxoethoxy]acetic acid
PubChem CID61326887
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name2-[2-[2-(dimethylamino)anilino]-2-oxoethoxy]acetic acid
SMILESCN(C)c1ccccc1NC(=O)COCC(=O)O
InChIInChI=1S/C12H16N2O4/c1-14(2)10-6-4-3-5-9(10)13-11(15)7-18-8-12(16)17/h3-6H,7-8H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyXFFIASAIKYKAJC-UHFFFAOYSA-N
XLogP0.79
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)phenyl]-2-(4-methylphenoxy)acetamide
CID 39130421
2-[2-(2-ethoxycarbonylanilino)-2-oxoethoxy]acetic acid
CID 60662085
2-[carboxymethyl-[[2-(dimethylamino)phenyl]carbamoyl]amino]acetic acid
CID 106760414
3-[[2-(carboxymethoxy)acetyl]amino]-2-methylbenzoic acid
CID 61327665
N-[2-(dimethylamino)phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 30875501
2-[2-[[(2-methoxyphenyl)-methylcarbamoyl]amino]-2-oxoethoxy]acetic acid
CID 62002291
2-[[2-(dimethylamino)phenyl]carbamoyloxy]ethyl N-[2-(dimethylamino)phenyl]carbamate;hydrochloride
CID 54599742
3-[[2-(dimethylamino)phenyl]carbamoylamino]butanoic acid
CID 106760433
5-bromo-N-[2-(dimethylamino)phenyl]pentanamide
CID 107908909
1-[2-(dimethylamino)phenyl]-3-phenylurea
CID 110472237
methyl 2-[2-(dimethylamino)anilino]-2-oxoacetate
CID 106760603
2-[2-[2-methyl-3-(methylcarbamoyl)anilino]-2-oxoethoxy]acetic acid
CID 61329614

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(dimethylamino)anilino]-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-[2-(dimethylamino)anilino]-2-oxoethoxy]acetic acid (CID 61326887) is 2-[2-[2-(dimethylamino)anilino]-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-[2-(dimethylamino)anilino]-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-[2-(dimethylamino)anilino]-2-oxoethoxy]acetic acid is CN(C)c1ccccc1NC(=O)COCC(=O)O.
What is the InChIKey of 2-[2-[2-(dimethylamino)anilino]-2-oxoethoxy]acetic acid?
The InChIKey is XFFIASAIKYKAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-14(2)10-6-4-3-5-9(10)13-11(15)7-18-8-12(16)17/h3-6H,7-8H2,1-2H3,(H,13,15)(H,16,17).
What are the key properties of 2-[2-[2-(dimethylamino)anilino]-2-oxoethoxy]acetic acid?
2-[2-[2-(dimethylamino)anilino]-2-oxoethoxy]acetic acid has a molecular weight of 252.27 g/mol, XLogP of 0.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(dimethylamino)anilino]-2-oxoethoxy]acetic acid is sourced from PubChem (CID 61326887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).