(2R)-2-methyl-3-(N-methylanilino)propanoic acid

C11H15NO2 — CID 94253746

IUPAC(2R)-2-methyl-3-(N-methylanilino)propanoic acid
SMILESC[C@H](CN(C)c1ccccc1)C(=O)O
InChIInChI=1S/C11H15NO2/c1-9(11(13)14)8-12(2)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,13,14)/t9-/m1/s1
InChIKeyTUHDVYVSPCSJTP-SECBINFHSA-N
MW193.25 g/mol
LogP1.84
Rot. Bonds4

About (2R)-2-methyl-3-(N-methylanilino)propanoic acid

(2R)-2-methyl-3-(N-methylanilino)propanoic acid (PubChem CID 94253746) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is (2R)-2-methyl-3-(N-methylanilino)propanoic acid.

Molecular Properties

Compound Name(2R)-2-methyl-3-(N-methylanilino)propanoic acid
PubChem CID94253746
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name(2R)-2-methyl-3-(N-methylanilino)propanoic acid
SMILESC[C@H](CN(C)c1ccccc1)C(=O)O
InChIInChI=1S/C11H15NO2/c1-9(11(13)14)8-12(2)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,13,14)/t9-/m1/s1
InChIKeyTUHDVYVSPCSJTP-SECBINFHSA-N
XLogP1.84
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-methyl-3-(N-methylanilino)propanoic acid
CID 94253745
3-methyl-4-(N-methylanilino)butan-2-one
CID 174632669
2-methyl-3-[methyl-[2-(N-methylanilino)ethyl]amino]propanoic acid
CID 122120299
2-methyl-3-(N-methyl-4-methylsulfonylanilino)propanoic acid
CID 55007680
(2R)-1-(N-methylanilino)propan-2-ol
CID 39236034
benzyl 2-methyl-3-(N-methylanilino)propanoate
CID 106484216
(2S)-2,4-dimethylpentanoic acid;2-(methylamino)-3-(N-methylanilino)propanoic acid
CID 142141703
2-methyl-3-(N-methylanilino)propanimidamide
CID 43175003
(2S)-1-N-methyl-1-N-phenylpropane-1,2-diamine
CID 22689433
2-methyl-3-[methyl-(3-methylquinolin-2-yl)amino]propanoic acid
CID 55174576
3-[N-(cyanomethyl)anilino]-2-methylpropanoic acid
CID 82318541
2-methyl-3-[methyl(phenyl)sulfamoyl]propanoic acid
CID 18522092

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-3-(N-methylanilino)propanoic acid?
The IUPAC name of (2R)-2-methyl-3-(N-methylanilino)propanoic acid (CID 94253746) is (2R)-2-methyl-3-(N-methylanilino)propanoic acid.
What is the SMILES notation for (2R)-2-methyl-3-(N-methylanilino)propanoic acid?
The canonical SMILES for (2R)-2-methyl-3-(N-methylanilino)propanoic acid is C[C@H](CN(C)c1ccccc1)C(=O)O.
What is the InChIKey of (2R)-2-methyl-3-(N-methylanilino)propanoic acid?
The InChIKey is TUHDVYVSPCSJTP-SECBINFHSA-N. The full InChI is InChI=1S/C11H15NO2/c1-9(11(13)14)8-12(2)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,13,14)/t9-/m1/s1.
What are the key properties of (2R)-2-methyl-3-(N-methylanilino)propanoic acid?
(2R)-2-methyl-3-(N-methylanilino)propanoic acid has a molecular weight of 193.25 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-3-(N-methylanilino)propanoic acid is sourced from PubChem (CID 94253746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).