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

C14H20N2O3 — CID 62822694

IUPAC2-methyl-2-[methyl-[2-(N-methylanilino)-2-oxoethyl]amino]propanoic acid
SMILESCN(C(=O)CN(C)C(C)(C)C(=O)O)c1ccccc1
InChIInChI=1S/C14H20N2O3/c1-14(2,13(18)19)15(3)10-12(17)16(4)11-8-6-5-7-9-11/h5-9H,10H2,1-4H3,(H,18,19)
InChIKeyXRVQCRHGZIPWDT-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.44
Rot. Bonds5

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

2-methyl-2-[methyl-[2-(N-methylanilino)-2-oxoethyl]amino]propanoic acid (PubChem CID 62822694) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-methyl-2-[methyl-[2-(N-methylanilino)-2-oxoethyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[methyl-[2-(N-methylanilino)-2-oxoethyl]amino]propanoic acid
PubChem CID62822694
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-methyl-2-[methyl-[2-(N-methylanilino)-2-oxoethyl]amino]propanoic acid
SMILESCN(C(=O)CN(C)C(C)(C)C(=O)O)c1ccccc1
InChIInChI=1S/C14H20N2O3/c1-14(2,13(18)19)15(3)10-12(17)16(4)11-8-6-5-7-9-11/h5-9H,10H2,1-4H3,(H,18,19)
InChIKeyXRVQCRHGZIPWDT-UHFFFAOYSA-N
XLogP1.44
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[methyl-[2-(N-methylanilino)-2-oxoethyl]amino]propanoic acid?
The IUPAC name of 2-methyl-2-[methyl-[2-(N-methylanilino)-2-oxoethyl]amino]propanoic acid (CID 62822694) is 2-methyl-2-[methyl-[2-(N-methylanilino)-2-oxoethyl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[methyl-[2-(N-methylanilino)-2-oxoethyl]amino]propanoic acid?
The canonical SMILES for 2-methyl-2-[methyl-[2-(N-methylanilino)-2-oxoethyl]amino]propanoic acid is CN(C(=O)CN(C)C(C)(C)C(=O)O)c1ccccc1.
What is the InChIKey of 2-methyl-2-[methyl-[2-(N-methylanilino)-2-oxoethyl]amino]propanoic acid?
The InChIKey is XRVQCRHGZIPWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-14(2,13(18)19)15(3)10-12(17)16(4)11-8-6-5-7-9-11/h5-9H,10H2,1-4H3,(H,18,19).
What are the key properties of 2-methyl-2-[methyl-[2-(N-methylanilino)-2-oxoethyl]amino]propanoic acid?
2-methyl-2-[methyl-[2-(N-methylanilino)-2-oxoethyl]amino]propanoic acid has a molecular weight of 264.32 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[methyl-[2-(N-methylanilino)-2-oxoethyl]amino]propanoic acid is sourced from PubChem (CID 62822694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).