(2R)-2-(N-ethyl-2,4-dimethylanilino)propanoic acid

C13H19NO2 — CID 125045140

IUPAC(2R)-2-(N-ethyl-2,4-dimethylanilino)propanoic acid
SMILESCCN(c1ccc(C)cc1C)[C@H](C)C(=O)O
InChIInChI=1S/C13H19NO2/c1-5-14(11(4)13(15)16)12-7-6-9(2)8-10(12)3/h6-8,11H,5H2,1-4H3,(H,15,16)/t11-/m1/s1
InChIKeySGNCGIFMGCLSMW-LLVKDONJSA-N
MW221.30 g/mol
LogP2.60
Rot. Bonds4

About (2R)-2-(N-ethyl-2,4-dimethylanilino)propanoic acid

(2R)-2-(N-ethyl-2,4-dimethylanilino)propanoic acid (PubChem CID 125045140) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is (2R)-2-(N-ethyl-2,4-dimethylanilino)propanoic acid.

Molecular Properties

Compound Name(2R)-2-(N-ethyl-2,4-dimethylanilino)propanoic acid
PubChem CID125045140
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name(2R)-2-(N-ethyl-2,4-dimethylanilino)propanoic acid
SMILESCCN(c1ccc(C)cc1C)[C@H](C)C(=O)O
InChIInChI=1S/C13H19NO2/c1-5-14(11(4)13(15)16)12-7-6-9(2)8-10(12)3/h6-8,11H,5H2,1-4H3,(H,15,16)/t11-/m1/s1
InChIKeySGNCGIFMGCLSMW-LLVKDONJSA-N
XLogP2.60
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(N-ethyl-2-methylanilino)propanoic acid
CID 124509883
(2R)-2-(N,2,4-trimethylanilino)propanoic acid
CID 124508497
2-(N-ethylsulfonyl-2,4-dimethylanilino)propanoic acid
CID 50891733
2-(5-chloro-N-ethyl-2-methylanilino)propanoic acid
CID 133150346
N-(2,4-dimethylphenyl)-N-ethyl-2-methylpropanamide
CID 78853766
2-(2-methoxy-5-methyl-N-propylanilino)propanoic acid
CID 133150456
(2S)-2-(2-methoxy-5-methyl-N-propylanilino)propanoic acid
CID 100521538
3-(N-butanoyl-2,4-dimethylanilino)-2-methylpropanoic acid
CID 82320825
2-[3-(2,4-dimethylphenyl)propanoyl-methylamino]propanoic acid
CID 119209194
2-[[(2,4-dimethylphenyl)-methylcarbamoyl]-propan-2-ylamino]acetic acid
CID 62002506
2-[(2,4-dimethylphenyl)-methylcarbamoyl]-3-methylbutanoic acid
CID 115186176
3-(2,4-dimethyl-N-pentanoylanilino)-2-methylpropanoic acid
CID 82320928

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(N-ethyl-2,4-dimethylanilino)propanoic acid?
The IUPAC name of (2R)-2-(N-ethyl-2,4-dimethylanilino)propanoic acid (CID 125045140) is (2R)-2-(N-ethyl-2,4-dimethylanilino)propanoic acid.
What is the SMILES notation for (2R)-2-(N-ethyl-2,4-dimethylanilino)propanoic acid?
The canonical SMILES for (2R)-2-(N-ethyl-2,4-dimethylanilino)propanoic acid is CCN(c1ccc(C)cc1C)[C@H](C)C(=O)O.
What is the InChIKey of (2R)-2-(N-ethyl-2,4-dimethylanilino)propanoic acid?
The InChIKey is SGNCGIFMGCLSMW-LLVKDONJSA-N. The full InChI is InChI=1S/C13H19NO2/c1-5-14(11(4)13(15)16)12-7-6-9(2)8-10(12)3/h6-8,11H,5H2,1-4H3,(H,15,16)/t11-/m1/s1.
What are the key properties of (2R)-2-(N-ethyl-2,4-dimethylanilino)propanoic acid?
(2R)-2-(N-ethyl-2,4-dimethylanilino)propanoic acid has a molecular weight of 221.30 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(N-ethyl-2,4-dimethylanilino)propanoic acid is sourced from PubChem (CID 125045140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).