2-methyl-3-[methyl-[2-(N-methylanilino)ethyl]amino]propanoic acid

C14H22N2O2 — CID 122120299

IUPAC2-methyl-3-[methyl-[2-(N-methylanilino)ethyl]amino]propanoic acid
SMILESCC(CN(C)CCN(C)c1ccccc1)C(=O)O
InChIInChI=1S/C14H22N2O2/c1-12(14(17)18)11-15(2)9-10-16(3)13-7-5-4-6-8-13/h4-8,12H,9-11H2,1-3H3,(H,17,18)
InChIKeyUNMBRZPLEJGVFS-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.78
Rot. Bonds7

About 2-methyl-3-[methyl-[2-(N-methylanilino)ethyl]amino]propanoic acid

2-methyl-3-[methyl-[2-(N-methylanilino)ethyl]amino]propanoic acid (PubChem CID 122120299) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-methyl-3-[methyl-[2-(N-methylanilino)ethyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[methyl-[2-(N-methylanilino)ethyl]amino]propanoic acid
PubChem CID122120299
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-methyl-3-[methyl-[2-(N-methylanilino)ethyl]amino]propanoic acid
SMILESCC(CN(C)CCN(C)c1ccccc1)C(=O)O
InChIInChI=1S/C14H22N2O2/c1-12(14(17)18)11-15(2)9-10-16(3)13-7-5-4-6-8-13/h4-8,12H,9-11H2,1-3H3,(H,17,18)
InChIKeyUNMBRZPLEJGVFS-UHFFFAOYSA-N
XLogP1.78
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-methyl-3-(N-methylanilino)propanoic acid
CID 94253745
(2R)-2-methyl-3-(N-methylanilino)propanoic acid
CID 94253746
3-methyl-4-(N-methylanilino)butan-2-one
CID 174632669
2-methyl-3-[methyl(2-pyridin-2-ylethyl)amino]propanoic acid
CID 43538751
carbanide;N,N'-dimethyl-N,N'-diphenylethane-1,2-diamine;palladium
CID 22967947
(2R)-1-[methyl-[2-(N-methylanilino)ethyl]amino]-3-phenoxypropan-2-ol
CID 98787204
(2R)-1-(N-methylanilino)propan-2-ol
CID 39236034
(2S)-2,4-dimethylpentanoic acid;2-(methylamino)-3-(N-methylanilino)propanoic acid
CID 142141703
3-[(2-fluorophenyl)methyl-methylamino]-2-methylpropanoic acid
CID 61412681
3-[2-(3-chlorophenyl)ethyl-methylamino]-2-methylpropanoic acid
CID 112510600
3-amino-N,2-dimethyl-N-[2-(N-methylanilino)ethyl]butanamide;dihydrochloride
CID 120503843
2-methyl-3-(N-(2-methylbenzoyl)anilino)propanoic acid
CID 82321588

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl-[2-(N-methylanilino)ethyl]amino]propanoic acid?
The IUPAC name of 2-methyl-3-[methyl-[2-(N-methylanilino)ethyl]amino]propanoic acid (CID 122120299) is 2-methyl-3-[methyl-[2-(N-methylanilino)ethyl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[methyl-[2-(N-methylanilino)ethyl]amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[methyl-[2-(N-methylanilino)ethyl]amino]propanoic acid is CC(CN(C)CCN(C)c1ccccc1)C(=O)O.
What is the InChIKey of 2-methyl-3-[methyl-[2-(N-methylanilino)ethyl]amino]propanoic acid?
The InChIKey is UNMBRZPLEJGVFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-12(14(17)18)11-15(2)9-10-16(3)13-7-5-4-6-8-13/h4-8,12H,9-11H2,1-3H3,(H,17,18).
What are the key properties of 2-methyl-3-[methyl-[2-(N-methylanilino)ethyl]amino]propanoic acid?
2-methyl-3-[methyl-[2-(N-methylanilino)ethyl]amino]propanoic acid has a molecular weight of 250.34 g/mol, XLogP of 1.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl-[2-(N-methylanilino)ethyl]amino]propanoic acid is sourced from PubChem (CID 122120299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).