3-[[2-(N-ethyl-2-methylanilino)-2-oxoethyl]-methylamino]propanoic acid

C15H22N2O3 — CID 60987713

IUPAC3-[[2-(N-ethyl-2-methylanilino)-2-oxoethyl]-methylamino]propanoic acid
SMILESCCN(C(=O)CN(C)CCC(=O)O)c1ccccc1C
InChIInChI=1S/C15H22N2O3/c1-4-17(13-8-6-5-7-12(13)2)14(18)11-16(3)10-9-15(19)20/h5-8H,4,9-11H2,1-3H3,(H,19,20)
InChIKeyDNTRDJFQMIKXGF-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.75
Rot. Bonds7

About 3-[[2-(N-ethyl-2-methylanilino)-2-oxoethyl]-methylamino]propanoic acid

3-[[2-(N-ethyl-2-methylanilino)-2-oxoethyl]-methylamino]propanoic acid (PubChem CID 60987713) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 3-[[2-(N-ethyl-2-methylanilino)-2-oxoethyl]-methylamino]propanoic acid.

Molecular Properties

Compound Name3-[[2-(N-ethyl-2-methylanilino)-2-oxoethyl]-methylamino]propanoic acid
PubChem CID60987713
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name3-[[2-(N-ethyl-2-methylanilino)-2-oxoethyl]-methylamino]propanoic acid
SMILESCCN(C(=O)CN(C)CCC(=O)O)c1ccccc1C
InChIInChI=1S/C15H22N2O3/c1-4-17(13-8-6-5-7-12(13)2)14(18)11-16(3)10-9-15(19)20/h5-8H,4,9-11H2,1-3H3,(H,19,20)
InChIKeyDNTRDJFQMIKXGF-UHFFFAOYSA-N
XLogP1.75
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[[2-(N-ethyl-2-methylanilino)-2-oxoethyl]-methylamino]propanoate
CID 62013232
2-[[2-(N-ethyl-2-methylanilino)-2-oxoethyl]-methylamino]acetic acid
CID 43442470
3-(N-heptanoyl-2-methylanilino)propanoic acid
CID 60832644
2-[ethyl-[ethyl-(2-methylphenyl)carbamoyl]amino]acetic acid
CID 61184616
5-(N-ethyl-2-methylanilino)-3,3-dimethyl-5-oxopentanoic acid
CID 62934041
3-[N-(2-ethylbutanoyl)-2-methylanilino]propanoic acid
CID 28764123
3-(N-(2-tert-butylsulfanylacetyl)-2-methylanilino)propanoic acid
CID 60831636
3-(N-[1-hydroxypropan-2-yl(methyl)carbamoyl]-2-methylanilino)propanoic acid
CID 104553144
2-[[2-(N-ethyl-2-methylanilino)-2-oxoethyl]amino]propanoic acid
CID 43467078
3-[N-(3-methoxypropanoyl)-2-methylanilino]propanoic acid
CID 62590215
3-(N-[(2S)-2-aminobutanoyl]-2-methylanilino)propanoic acid
CID 79023548
3-[2-methyl-N-(pentan-3-ylcarbamoyl)anilino]propanoic acid
CID 61188137

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(N-ethyl-2-methylanilino)-2-oxoethyl]-methylamino]propanoic acid?
The IUPAC name of 3-[[2-(N-ethyl-2-methylanilino)-2-oxoethyl]-methylamino]propanoic acid (CID 60987713) is 3-[[2-(N-ethyl-2-methylanilino)-2-oxoethyl]-methylamino]propanoic acid.
What is the SMILES notation for 3-[[2-(N-ethyl-2-methylanilino)-2-oxoethyl]-methylamino]propanoic acid?
The canonical SMILES for 3-[[2-(N-ethyl-2-methylanilino)-2-oxoethyl]-methylamino]propanoic acid is CCN(C(=O)CN(C)CCC(=O)O)c1ccccc1C.
What is the InChIKey of 3-[[2-(N-ethyl-2-methylanilino)-2-oxoethyl]-methylamino]propanoic acid?
The InChIKey is DNTRDJFQMIKXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-4-17(13-8-6-5-7-12(13)2)14(18)11-16(3)10-9-15(19)20/h5-8H,4,9-11H2,1-3H3,(H,19,20).
What are the key properties of 3-[[2-(N-ethyl-2-methylanilino)-2-oxoethyl]-methylamino]propanoic acid?
3-[[2-(N-ethyl-2-methylanilino)-2-oxoethyl]-methylamino]propanoic acid has a molecular weight of 278.35 g/mol, XLogP of 1.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(N-ethyl-2-methylanilino)-2-oxoethyl]-methylamino]propanoic acid is sourced from PubChem (CID 60987713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).