(2R)-2-(N-ethyl-2-methylanilino)propanoic acid

C12H17NO2 — CID 124509883

IUPAC(2R)-2-(N-ethyl-2-methylanilino)propanoic acid
SMILESCCN(c1ccccc1C)[C@H](C)C(=O)O
InChIInChI=1S/C12H17NO2/c1-4-13(10(3)12(14)15)11-8-6-5-7-9(11)2/h5-8,10H,4H2,1-3H3,(H,14,15)/t10-/m1/s1
InChIKeyHLCOIMGGSPQULX-SNVBAGLBSA-N
MW207.27 g/mol
LogP2.29
Rot. Bonds4

About (2R)-2-(N-ethyl-2-methylanilino)propanoic acid

(2R)-2-(N-ethyl-2-methylanilino)propanoic acid (PubChem CID 124509883) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is (2R)-2-(N-ethyl-2-methylanilino)propanoic acid.

Molecular Properties

Compound Name(2R)-2-(N-ethyl-2-methylanilino)propanoic acid
PubChem CID124509883
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name(2R)-2-(N-ethyl-2-methylanilino)propanoic acid
SMILESCCN(c1ccccc1C)[C@H](C)C(=O)O
InChIInChI=1S/C12H17NO2/c1-4-13(10(3)12(14)15)11-8-6-5-7-9(11)2/h5-8,10H,4H2,1-3H3,(H,14,15)/t10-/m1/s1
InChIKeyHLCOIMGGSPQULX-SNVBAGLBSA-N
XLogP2.29
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R)-2-(N-ethyl-2-methylanilino)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-(N-ethyl-2,4-dimethylanilino)propanoic acid
CID 125045140
2-(5-chloro-N-ethyl-2-methylanilino)propanoic acid
CID 133150346
1-(5-chlorothiophen-2-yl)-2-(N-ethyl-2-methylanilino)propan-1-one
CID 43794159
3-(N-ethyl-2-methylanilino)-2-methyl-3-oxopropanoic acid
CID 114896860
2-(N,2-dimethylanilino)butanoic acid
CID 133150219
2-[[2-(N-ethyl-2-methylanilino)-2-oxoethyl]amino]propanoic acid
CID 43467078
(2R)-2-(2,4-dichloro-N-ethylanilino)propanoic acid
CID 125045037
2-(N-ethyl-2-methylanilino)-1-phenylbutan-1-ol
CID 63472847
3-(2-methyl-N-pentan-3-ylanilino)propanoic acid
CID 65059233
2-(2,6-dimethyl-N-pentylanilino)propanoic acid
CID 70524742
(2R)-2-[naphthalen-1-yl(propyl)amino]propanoic acid
CID 125045111
2-[N-(2-carboxyethyl)-2-ethylanilino]propanoic acid
CID 82317140

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(N-ethyl-2-methylanilino)propanoic acid?
The IUPAC name of (2R)-2-(N-ethyl-2-methylanilino)propanoic acid (CID 124509883) is (2R)-2-(N-ethyl-2-methylanilino)propanoic acid.
What is the SMILES notation for (2R)-2-(N-ethyl-2-methylanilino)propanoic acid?
The canonical SMILES for (2R)-2-(N-ethyl-2-methylanilino)propanoic acid is CCN(c1ccccc1C)[C@H](C)C(=O)O.
What is the InChIKey of (2R)-2-(N-ethyl-2-methylanilino)propanoic acid?
The InChIKey is HLCOIMGGSPQULX-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H17NO2/c1-4-13(10(3)12(14)15)11-8-6-5-7-9(11)2/h5-8,10H,4H2,1-3H3,(H,14,15)/t10-/m1/s1.
What are the key properties of (2R)-2-(N-ethyl-2-methylanilino)propanoic acid?
(2R)-2-(N-ethyl-2-methylanilino)propanoic acid has a molecular weight of 207.27 g/mol, XLogP of 2.29, 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-methylanilino)propanoic acid is sourced from PubChem (CID 124509883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).