2-[[2-(N-ethyl-2-methylanilino)-2-oxoethyl]amino]propanoic acid

C14H20N2O3 — CID 43467078

IUPAC2-[[2-(N-ethyl-2-methylanilino)-2-oxoethyl]amino]propanoic acid
SMILESCCN(C(=O)CNC(C)C(=O)O)c1ccccc1C
InChIInChI=1S/C14H20N2O3/c1-4-16(12-8-6-5-7-10(12)2)13(17)9-15-11(3)14(18)19/h5-8,11,15H,4,9H2,1-3H3,(H,18,19)
InChIKeyQMFLIORZHYLRKW-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.41
Rot. Bonds6

About 2-[[2-(N-ethyl-2-methylanilino)-2-oxoethyl]amino]propanoic acid

2-[[2-(N-ethyl-2-methylanilino)-2-oxoethyl]amino]propanoic acid (PubChem CID 43467078) has the molecular formula C14H20N2O3 and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-[[2-(N-ethyl-2-methylanilino)-2-oxoethyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[2-(N-ethyl-2-methylanilino)-2-oxoethyl]amino]propanoic acid
PubChem CID43467078
Molecular FormulaC14H20N2O3
Molecular Weight264.33 g/mol
Exact Mass264.15
IUPAC Name2-[[2-(N-ethyl-2-methylanilino)-2-oxoethyl]amino]propanoic acid
SMILESCCN(C(=O)CNC(C)C(=O)O)c1ccccc1C
InChIInChI=1S/C14H20N2O3/c1-4-16(12-8-6-5-7-10(12)2)13(17)9-15-11(3)14(18)19/h5-8,11,15H,4,9H2,1-3H3,(H,18,19)
InChIKeyQMFLIORZHYLRKW-UHFFFAOYSA-N
XLogP1.41
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(N-ethyl-2-methylanilino)-2-methyl-3-oxopropanoic acid
CID 114896860
(2R)-2-[[ethyl-(2-methylphenyl)carbamoyl]amino]-3-hydroxypropanoic acid
CID 80749854
3-[[2-(N-ethyl-2-methylanilino)-2-oxoethyl]-methylamino]propanoic acid
CID 60987713
2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]propanoic acid
CID 43467206
N'-ethyl-N'-(2-methylphenyl)-N-propan-2-yloxamide
CID 47332754
2-[[2-(N-ethyl-2-methylanilino)-2-oxoethyl]-methylamino]acetic acid
CID 43442470
2-(1-aminopropan-2-ylsulfanyl)-N-ethyl-N-(2-methylphenyl)acetamide
CID 66220592
N-ethyl-N-(5-hydroxy-2-methylphenyl)-2-(propan-2-ylamino)acetamide
CID 107734471
(2R)-2-[[2-[N-(cyanomethyl)anilino]-2-oxoethyl]amino]propanoic acid
CID 83194262
N-ethyl-2-[3-hydroxypropyl(propan-2-yl)amino]-N-(2-methylphenyl)acetamide
CID 62014625
N,N'-diethyl-N,N'-bis(2-methylphenyl)-2-phenylpropanediamide
CID 3396233
5-(N-ethyl-2-methylanilino)-3,3-dimethyl-5-oxopentanoic acid
CID 62934041

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(N-ethyl-2-methylanilino)-2-oxoethyl]amino]propanoic acid?
The IUPAC name of 2-[[2-(N-ethyl-2-methylanilino)-2-oxoethyl]amino]propanoic acid (CID 43467078) is 2-[[2-(N-ethyl-2-methylanilino)-2-oxoethyl]amino]propanoic acid.
What is the SMILES notation for 2-[[2-(N-ethyl-2-methylanilino)-2-oxoethyl]amino]propanoic acid?
The canonical SMILES for 2-[[2-(N-ethyl-2-methylanilino)-2-oxoethyl]amino]propanoic acid is CCN(C(=O)CNC(C)C(=O)O)c1ccccc1C.
What is the InChIKey of 2-[[2-(N-ethyl-2-methylanilino)-2-oxoethyl]amino]propanoic acid?
The InChIKey is QMFLIORZHYLRKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-4-16(12-8-6-5-7-10(12)2)13(17)9-15-11(3)14(18)19/h5-8,11,15H,4,9H2,1-3H3,(H,18,19).
What are the key properties of 2-[[2-(N-ethyl-2-methylanilino)-2-oxoethyl]amino]propanoic acid?
2-[[2-(N-ethyl-2-methylanilino)-2-oxoethyl]amino]propanoic acid has a molecular weight of 264.33 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(N-ethyl-2-methylanilino)-2-oxoethyl]amino]propanoic acid is sourced from PubChem (CID 43467078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).