(2R)-2-(4-ethyl-N-propylanilino)propanoic acid

C14H21NO2 — CID 125045091

IUPAC(2R)-2-(4-ethyl-N-propylanilino)propanoic acid
SMILESCCCN(c1ccc(CC)cc1)[C@H](C)C(=O)O
InChIInChI=1S/C14H21NO2/c1-4-10-15(11(3)14(16)17)13-8-6-12(5-2)7-9-13/h6-9,11H,4-5,10H2,1-3H3,(H,16,17)/t11-/m1/s1
InChIKeyMWLUJLQLUMURMA-LLVKDONJSA-N
MW235.33 g/mol
LogP2.94
Rot. Bonds6

About (2R)-2-(4-ethyl-N-propylanilino)propanoic acid

(2R)-2-(4-ethyl-N-propylanilino)propanoic acid (PubChem CID 125045091) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is (2R)-2-(4-ethyl-N-propylanilino)propanoic acid.

Molecular Properties

Compound Name(2R)-2-(4-ethyl-N-propylanilino)propanoic acid
PubChem CID125045091
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name(2R)-2-(4-ethyl-N-propylanilino)propanoic acid
SMILESCCCN(c1ccc(CC)cc1)[C@H](C)C(=O)O
InChIInChI=1S/C14H21NO2/c1-4-10-15(11(3)14(16)17)13-8-6-12(5-2)7-9-13/h6-9,11H,4-5,10H2,1-3H3,(H,16,17)/t11-/m1/s1
InChIKeyMWLUJLQLUMURMA-LLVKDONJSA-N
XLogP2.94
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(4-methoxy-N-propylanilino)propanoic acid
CID 125045208
3-(4-ethyl-N-propylanilino)-2-methylpropanoic acid
CID 82317884
(2S)-2-(3,4-dimethyl-N-propylanilino)propanoic acid
CID 100517847
3-(N-butyl-4-ethylanilino)-2-methylpropanoic acid
CID 82318061
(2S)-2-(N,4-diethylanilino)butanoic acid
CID 100518092
(2R)-2-(N,4-diethylanilino)butanoic acid
CID 125044983
2-(4-amino-N-propylanilino)propanamide
CID 63233906
2-[4-(aminomethyl)-N-propylanilino]-N-ethylpropanamide
CID 43275941
4-[1-carboxyethyl(ethyl)amino]benzoic acid
CID 90744202
benzyl 2-(N-propylanilino)propanoate
CID 174478380
2-[4-(2-carboxyethyl)-N-(4-sulfanylbutyl)anilino]propanoic acid
CID 57088453
2-(N-ethyl-4-formylanilino)propanoic acid
CID 54172194

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-ethyl-N-propylanilino)propanoic acid?
The IUPAC name of (2R)-2-(4-ethyl-N-propylanilino)propanoic acid (CID 125045091) is (2R)-2-(4-ethyl-N-propylanilino)propanoic acid.
What is the SMILES notation for (2R)-2-(4-ethyl-N-propylanilino)propanoic acid?
The canonical SMILES for (2R)-2-(4-ethyl-N-propylanilino)propanoic acid is CCCN(c1ccc(CC)cc1)[C@H](C)C(=O)O.
What is the InChIKey of (2R)-2-(4-ethyl-N-propylanilino)propanoic acid?
The InChIKey is MWLUJLQLUMURMA-LLVKDONJSA-N. The full InChI is InChI=1S/C14H21NO2/c1-4-10-15(11(3)14(16)17)13-8-6-12(5-2)7-9-13/h6-9,11H,4-5,10H2,1-3H3,(H,16,17)/t11-/m1/s1.
What are the key properties of (2R)-2-(4-ethyl-N-propylanilino)propanoic acid?
(2R)-2-(4-ethyl-N-propylanilino)propanoic acid has a molecular weight of 235.33 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-ethyl-N-propylanilino)propanoic acid is sourced from PubChem (CID 125045091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).