3-[[2-(2,5-dimethylanilino)-2-oxoethyl]-(2-hydroxyethyl)amino]propanoic acid

C15H22N2O4 — CID 82326666

IUPAC3-[[2-(2,5-dimethylanilino)-2-oxoethyl]-(2-hydroxyethyl)amino]propanoic acid
SMILESCc1ccc(C)c(NC(=O)CN(CCO)CCC(=O)O)c1
InChIInChI=1S/C15H22N2O4/c1-11-3-4-12(2)13(9-11)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)
InChIKeyIBFTXALFFMTOIZ-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.01
Rot. Bonds8

About 3-[[2-(2,5-dimethylanilino)-2-oxoethyl]-(2-hydroxyethyl)amino]propanoic acid

3-[[2-(2,5-dimethylanilino)-2-oxoethyl]-(2-hydroxyethyl)amino]propanoic acid (PubChem CID 82326666) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 3-[[2-(2,5-dimethylanilino)-2-oxoethyl]-(2-hydroxyethyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[[2-(2,5-dimethylanilino)-2-oxoethyl]-(2-hydroxyethyl)amino]propanoic acid
PubChem CID82326666
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name3-[[2-(2,5-dimethylanilino)-2-oxoethyl]-(2-hydroxyethyl)amino]propanoic acid
SMILESCc1ccc(C)c(NC(=O)CN(CCO)CCC(=O)O)c1
InChIInChI=1S/C15H22N2O4/c1-11-3-4-12(2)13(9-11)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)
InChIKeyIBFTXALFFMTOIZ-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]-propylamino]propanoic acid
CID 82326667
2-[carboxymethyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]acetic acid
CID 12552996
3-[[2-(3,4-dimethylanilino)-2-oxoethyl]-(2-hydroxyethyl)amino]propanoic acid
CID 82326677
3-[[2-(2,5-dimethylanilino)-2-oxoethyl]-propan-2-ylamino]propanoic acid
CID 60834098
N-(5-fluoro-2-methylphenyl)-2-[2-hydroxyethyl(propyl)amino]acetamide
CID 60693543
N-(2,5-dimethylphenyl)-3-(dipropylamino)propanamide
CID 109033115
N-(2,4-dimethylphenyl)-2-[2-hydroxyethyl(2-methoxyethyl)amino]acetamide
CID 111103230
3-[(2,5-dimethylphenyl)carbamoyl-methylamino]propanoic acid
CID 61200119
2-[butyl(2-hydroxyethyl)amino]-N-(5-fluoro-2-methylphenyl)acetamide
CID 60689165
N-(2-amino-4-methylphenyl)-2-[2-hydroxyethyl(propyl)amino]acetamide
CID 61424715
3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(2,5-dimethylphenyl)propanamide
CID 84567734
N-(5-amino-2-methylphenyl)-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetamide
CID 107478839

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2,5-dimethylanilino)-2-oxoethyl]-(2-hydroxyethyl)amino]propanoic acid?
The IUPAC name of 3-[[2-(2,5-dimethylanilino)-2-oxoethyl]-(2-hydroxyethyl)amino]propanoic acid (CID 82326666) is 3-[[2-(2,5-dimethylanilino)-2-oxoethyl]-(2-hydroxyethyl)amino]propanoic acid.
What is the SMILES notation for 3-[[2-(2,5-dimethylanilino)-2-oxoethyl]-(2-hydroxyethyl)amino]propanoic acid?
The canonical SMILES for 3-[[2-(2,5-dimethylanilino)-2-oxoethyl]-(2-hydroxyethyl)amino]propanoic acid is Cc1ccc(C)c(NC(=O)CN(CCO)CCC(=O)O)c1.
What is the InChIKey of 3-[[2-(2,5-dimethylanilino)-2-oxoethyl]-(2-hydroxyethyl)amino]propanoic acid?
The InChIKey is IBFTXALFFMTOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-11-3-4-12(2)13(9-11)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-(2,5-dimethylanilino)-2-oxoethyl]-(2-hydroxyethyl)amino]propanoic acid?
3-[[2-(2,5-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-(2,5-dimethylanilino)-2-oxoethyl]-(2-hydroxyethyl)amino]propanoic acid is sourced from PubChem (CID 82326666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).