(2R)-2-(N,2,4-trimethylanilino)propanoic acid

C12H17NO2 — CID 124508497

IUPAC(2R)-2-(N,2,4-trimethylanilino)propanoic acid
SMILESCc1ccc(N(C)[C@H](C)C(=O)O)c(C)c1
InChIInChI=1S/C12H17NO2/c1-8-5-6-11(9(2)7-8)13(4)10(3)12(14)15/h5-7,10H,1-4H3,(H,14,15)/t10-/m1/s1
InChIKeyUCJGPFSJZWZUGB-SNVBAGLBSA-N
MW207.27 g/mol
LogP2.21
Rot. Bonds3

About (2R)-2-(N,2,4-trimethylanilino)propanoic acid

(2R)-2-(N,2,4-trimethylanilino)propanoic acid (PubChem CID 124508497) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is (2R)-2-(N,2,4-trimethylanilino)propanoic acid.

Molecular Properties

Compound Name(2R)-2-(N,2,4-trimethylanilino)propanoic acid
PubChem CID124508497
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name(2R)-2-(N,2,4-trimethylanilino)propanoic acid
SMILESCc1ccc(N(C)[C@H](C)C(=O)O)c(C)c1
InChIInChI=1S/C12H17NO2/c1-8-5-6-11(9(2)7-8)13(4)10(3)12(14)15/h5-7,10H,1-4H3,(H,14,15)/t10-/m1/s1
InChIKeyUCJGPFSJZWZUGB-SNVBAGLBSA-N
XLogP2.21
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(N,2,4,5-tetramethylanilino)propanoic acid
CID 117041856
(2R)-2-(N-ethyl-2,4-dimethylanilino)propanoic acid
CID 125045140
2-(N,4-dimethyl-2-nitroanilino)propanoic acid
CID 62637384
2-(N-ethylsulfonyl-2,4-dimethylanilino)propanoic acid
CID 50891733
2-[(2,4-dimethylphenyl)-methylcarbamoyl]-3-methylbutanoic acid
CID 115186176
2-[3-(2,4-dimethylphenyl)propanoyl-methylamino]propanoic acid
CID 119209194
2-(4-tert-butyl-N,2,6-trimethylanilino)propanoic acid
CID 117041855
2-[[(2,4-dimethylphenyl)-methylcarbamoyl]-propan-2-ylamino]acetic acid
CID 62002506
2-(N,2,4-trimethylanilino)propanenitrile
CID 115129965
2-[1-(N,2,4-trimethylanilino)ethyl]benzene-1,3-diol
CID 107711813
2-methyl-2-(N,2,4-trimethylanilino)propanoic acid
CID 114988793
2-(2,3,4-trifluoro-N-methylanilino)propanoic acid
CID 67367878

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(N,2,4-trimethylanilino)propanoic acid?
The IUPAC name of (2R)-2-(N,2,4-trimethylanilino)propanoic acid (CID 124508497) is (2R)-2-(N,2,4-trimethylanilino)propanoic acid.
What is the SMILES notation for (2R)-2-(N,2,4-trimethylanilino)propanoic acid?
The canonical SMILES for (2R)-2-(N,2,4-trimethylanilino)propanoic acid is Cc1ccc(N(C)[C@H](C)C(=O)O)c(C)c1.
What is the InChIKey of (2R)-2-(N,2,4-trimethylanilino)propanoic acid?
The InChIKey is UCJGPFSJZWZUGB-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H17NO2/c1-8-5-6-11(9(2)7-8)13(4)10(3)12(14)15/h5-7,10H,1-4H3,(H,14,15)/t10-/m1/s1.
What are the key properties of (2R)-2-(N,2,4-trimethylanilino)propanoic acid?
(2R)-2-(N,2,4-trimethylanilino)propanoic acid has a molecular weight of 207.27 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(N,2,4-trimethylanilino)propanoic acid is sourced from PubChem (CID 124508497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).