3-[[2-(3,4-dimethylanilino)-2-oxoethyl]-(2-hydroxyethyl)amino]propanoic acid

C15H22N2O4 — CID 82326677

IUPAC3-[[2-(3,4-dimethylanilino)-2-oxoethyl]-(2-hydroxyethyl)amino]propanoic acid
SMILESCc1ccc(NC(=O)CN(CCO)CCC(=O)O)cc1C
InChIInChI=1S/C15H22N2O4/c1-11-3-4-13(9-12(11)2)16-14(19)10-17(7-8-18)6-5-15(20)21/h3-4,9,18H,5-8,10H2,1-2H3,(H,16,19)(H,20,21)
InChIKeyGPMMDAHEVXNUGY-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.01
Rot. Bonds8

About 3-[[2-(3,4-dimethylanilino)-2-oxoethyl]-(2-hydroxyethyl)amino]propanoic acid

3-[[2-(3,4-dimethylanilino)-2-oxoethyl]-(2-hydroxyethyl)amino]propanoic acid (PubChem CID 82326677) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 3-[[2-(3,4-dimethylanilino)-2-oxoethyl]-(2-hydroxyethyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[[2-(3,4-dimethylanilino)-2-oxoethyl]-(2-hydroxyethyl)amino]propanoic acid
PubChem CID82326677
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name3-[[2-(3,4-dimethylanilino)-2-oxoethyl]-(2-hydroxyethyl)amino]propanoic acid
SMILESCc1ccc(NC(=O)CN(CCO)CCC(=O)O)cc1C
InChIInChI=1S/C15H22N2O4/c1-11-3-4-13(9-12(11)2)16-14(19)10-17(7-8-18)6-5-15(20)21/h3-4,9,18H,5-8,10H2,1-2H3,(H,16,19)(H,20,21)
InChIKeyGPMMDAHEVXNUGY-UHFFFAOYSA-N
XLogP1.01
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(2,5-dimethylanilino)-2-oxoethyl]-(2-hydroxyethyl)amino]propanoic acid
CID 82326666
3-[[2-(4-fluoroanilino)-2-oxoethyl]-(2-hydroxyethyl)amino]propanoic acid
CID 82326609
N-(3,4-dimethylphenyl)-2-[2-hydroxyethyl(propan-2-yl)amino]acetamide
CID 60692795
N-(3,4-dimethylphenyl)-2-[2-hydroxyethyl-[(2-methoxyphenyl)methyl]amino]acetamide
CID 110932227
N-(3,4-dimethylphenyl)-3-(dipropylamino)propanamide
CID 109033116
3-[[2-(3,4-dimethylanilino)-2-oxoethyl]amino]propanoic acid
CID 43466525
N-(4-bromo-3-methylphenyl)-2-[2-hydroxyethyl(2-methoxyethyl)amino]acetamide
CID 111436417
N-(4-acetamidophenyl)-2-[[2-(3,4-dimethylanilino)-2-oxoethyl]-ethylamino]acetamide
CID 8779925
4-[3-[[2-(3,4-dimethylanilino)-2-oxoethyl]-ethylamino]propanoylamino]benzamide
CID 36638223
N-(3-fluoro-4-methylphenyl)-2-[2-hydroxyethyl(methyl)amino]acetamide
CID 60683583
N-(3,4-dimethoxyphenyl)-2-[2-hydroxyethyl(propyl)amino]acetamide
CID 78823396
2-[2-aminoethyl(methyl)amino]-N-(3,4-dimethylphenyl)acetamide
CID 62687003

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3,4-dimethylanilino)-2-oxoethyl]-(2-hydroxyethyl)amino]propanoic acid?
The IUPAC name of 3-[[2-(3,4-dimethylanilino)-2-oxoethyl]-(2-hydroxyethyl)amino]propanoic acid (CID 82326677) is 3-[[2-(3,4-dimethylanilino)-2-oxoethyl]-(2-hydroxyethyl)amino]propanoic acid.
What is the SMILES notation for 3-[[2-(3,4-dimethylanilino)-2-oxoethyl]-(2-hydroxyethyl)amino]propanoic acid?
The canonical SMILES for 3-[[2-(3,4-dimethylanilino)-2-oxoethyl]-(2-hydroxyethyl)amino]propanoic acid is Cc1ccc(NC(=O)CN(CCO)CCC(=O)O)cc1C.
What is the InChIKey of 3-[[2-(3,4-dimethylanilino)-2-oxoethyl]-(2-hydroxyethyl)amino]propanoic acid?
The InChIKey is GPMMDAHEVXNUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-11-3-4-13(9-12(11)2)16-14(19)10-17(7-8-18)6-5-15(20)21/h3-4,9,18H,5-8,10H2,1-2H3,(H,16,19)(H,20,21).
What are the key properties of 3-[[2-(3,4-dimethylanilino)-2-oxoethyl]-(2-hydroxyethyl)amino]propanoic acid?
3-[[2-(3,4-dimethylanilino)-2-oxoethyl]-(2-hydroxyethyl)amino]propanoic acid has a molecular weight of 294.35 g/mol, XLogP of 1.01, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3,4-dimethylanilino)-2-oxoethyl]-(2-hydroxyethyl)amino]propanoic acid is sourced from PubChem (CID 82326677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).