[4-(2-{[2-(Dimethylamino)-2-oxoethyl]amino}-2-oxoethyl)phenyl]acetic Acid

2D Structure
3D Structure
Source:
General
Identifier MM00606
SMILES CN(C)C(=O)CNC(=O)Cc1ccc(CC(=O)O)cc1
InChIKey XXRUVCSOLTXEAZ-UHFFFAOYSA-N
MW [Da] 278.31

Automatically obtained from RDkit software.

LogP 0.06

Automatically obtained from RDkit software.

Links

PubChem

N/A

DrugBank

N/A

ChEBI

N/A

PDB

N/A

ChEMBL

N/A
Similar entries
4-carboxymethylphenyl Acetyl-Gly-NMe2
Similarity: 0.7079
Similarity to 4-carboxymethylphenyl Acetyl-Gly-NMe2
Tanimoto metric 0.7079
Cosine metric 0.8306
Dice metric 0.8289
MW:
264.28
PI:
3
Total passive interactions
[4-(2-{[2-(Dimethylamino)-2-oxoethyl]amino}-2-oxoethyl)phenyl]acetic Acid
1
4-carboxymethylphenyl Acetyl-Gly-NMe2
3
LogP:
0.13
AI:
0
Total active interactions
[4-(2-{[2-(Dimethylamino)-2-oxoethyl]amino}-2-oxoethyl)phenyl]acetic Acid
0
4-carboxymethylphenyl Acetyl-Gly-NMe2
0
4-[2-(Dimethylamino)-2-oxoethyl]benzeneacetic Acid
Similarity: 0.6949
Similarity to 4-[2-(Dimethylamino)-2-oxoethyl]benzeneacetic Acid
Tanimoto metric 0.6949
Cosine metric 0.8282
Dice metric 0.82
MW:
221.26
PI:
5
Total passive interactions
[4-(2-{[2-(Dimethylamino)-2-oxoethyl]amino}-2-oxoethyl)phenyl]acetic Acid
1
4-[2-(Dimethylamino)-2-oxoethyl]benzeneacetic Acid
5
LogP:
0.94
AI:
0
Total active interactions
[4-(2-{[2-(Dimethylamino)-2-oxoethyl]amino}-2-oxoethyl)phenyl]acetic Acid
0
4-[2-(Dimethylamino)-2-oxoethyl]benzeneacetic Acid
0
2-[4-[2-(Methylamino)-2-oxoethyl]phenyl]acetic Acid
Similarity: 0.6912
Similarity to 2-[4-[2-(Methylamino)-2-oxoethyl]phenyl]acetic Acid
Tanimoto metric 0.6912
Cosine metric 0.8314
Dice metric 0.8174
MW:
207.23
PI:
5
Total passive interactions
[4-(2-{[2-(Dimethylamino)-2-oxoethyl]amino}-2-oxoethyl)phenyl]acetic Acid
1
2-[4-[2-(Methylamino)-2-oxoethyl]phenyl]acetic Acid
5
LogP:
0.6
AI:
0
Total active interactions
[4-(2-{[2-(Dimethylamino)-2-oxoethyl]amino}-2-oxoethyl)phenyl]acetic Acid
0
2-[4-[2-(Methylamino)-2-oxoethyl]phenyl]acetic Acid
0
+21 more

No data

Methods

Computed
Q-based

No data

No transporter data found.