(2R)-2-(N-ethyl-3,5-dimethylanilino)butanoic acid

C14H21NO2 — CID 100517927

IUPAC(2R)-2-(N-ethyl-3,5-dimethylanilino)butanoic acid
SMILESCC[C@H](C(=O)O)N(CC)c1cc(C)cc(C)c1
InChIInChI=1S/C14H21NO2/c1-5-13(14(16)17)15(6-2)12-8-10(3)7-11(4)9-12/h7-9,13H,5-6H2,1-4H3,(H,16,17)/t13-/m1/s1
InChIKeyQFPLKIVXIUJAKZ-CYBMUJFWSA-N
MW235.33 g/mol
LogP2.99
Rot. Bonds5

About (2R)-2-(N-ethyl-3,5-dimethylanilino)butanoic acid

(2R)-2-(N-ethyl-3,5-dimethylanilino)butanoic acid (PubChem CID 100517927) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is (2R)-2-(N-ethyl-3,5-dimethylanilino)butanoic acid.

Molecular Properties

Compound Name(2R)-2-(N-ethyl-3,5-dimethylanilino)butanoic acid
PubChem CID100517927
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name(2R)-2-(N-ethyl-3,5-dimethylanilino)butanoic acid
SMILESCC[C@H](C(=O)O)N(CC)c1cc(C)cc(C)c1
InChIInChI=1S/C14H21NO2/c1-5-13(14(16)17)15(6-2)12-8-10(3)7-11(4)9-12/h7-9,13H,5-6H2,1-4H3,(H,16,17)/t13-/m1/s1
InChIKeyQFPLKIVXIUJAKZ-CYBMUJFWSA-N
XLogP2.99
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(N-ethyl-3,5-dimethylanilino)butanoic acid
CID 133150265
(2R)-2-(3,5-dimethyl-N-methylsulfonylanilino)butanoic acid
CID 124861253
(2S)-2-(N,4-diethylanilino)butanoic acid
CID 100518092
(2R)-2-(N,4-diethylanilino)butanoic acid
CID 125044983
2-(N-ethyl-4-trimethylsilylanilino)butanoic acid
CID 59058633
(2S)-2-[N-ethyl-3-(trifluoromethyl)anilino]butanoic acid
CID 100520434
(2S)-2-(4-methyl-N-propylanilino)butanoic acid
CID 100517320
(2R)-2-(N-ethyl-3-nitroanilino)butanoic acid
CID 100521914
2-(diethylamino)-3-(3,5-dimethylphenyl)propanoic acid
CID 83969909
2-(N-ethyl-2,5-dimethoxyanilino)butanoic acid
CID 133150447
N-(3,5-dimethylphenyl)-N-pentan-3-ylpropanamide
CID 142120576
(2R)-2-(3-chloro-N-ethyl-2-methylanilino)butanoic acid
CID 100519415

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(N-ethyl-3,5-dimethylanilino)butanoic acid?
The IUPAC name of (2R)-2-(N-ethyl-3,5-dimethylanilino)butanoic acid (CID 100517927) is (2R)-2-(N-ethyl-3,5-dimethylanilino)butanoic acid.
What is the SMILES notation for (2R)-2-(N-ethyl-3,5-dimethylanilino)butanoic acid?
The canonical SMILES for (2R)-2-(N-ethyl-3,5-dimethylanilino)butanoic acid is CC[C@H](C(=O)O)N(CC)c1cc(C)cc(C)c1.
What is the InChIKey of (2R)-2-(N-ethyl-3,5-dimethylanilino)butanoic acid?
The InChIKey is QFPLKIVXIUJAKZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H21NO2/c1-5-13(14(16)17)15(6-2)12-8-10(3)7-11(4)9-12/h7-9,13H,5-6H2,1-4H3,(H,16,17)/t13-/m1/s1.
What are the key properties of (2R)-2-(N-ethyl-3,5-dimethylanilino)butanoic acid?
(2R)-2-(N-ethyl-3,5-dimethylanilino)butanoic acid has a molecular weight of 235.33 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(N-ethyl-3,5-dimethylanilino)butanoic acid is sourced from PubChem (CID 100517927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).