2-(N,2,4,5-tetramethylanilino)butanedioic acid

C14H19NO4 — CID 115144332

IUPAC2-(N,2,4,5-tetramethylanilino)butanedioic acid
SMILESCc1cc(C)c(N(C)C(CC(=O)O)C(=O)O)cc1C
InChIInChI=1S/C14H19NO4/c1-8-5-10(3)11(6-9(8)2)15(4)12(14(18)19)7-13(16)17/h5-6,12H,7H2,1-4H3,(H,16,17)(H,18,19)
InChIKeySBPOXDIHXVUZGY-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.98
Rot. Bonds5

About 2-(N,2,4,5-tetramethylanilino)butanedioic acid

2-(N,2,4,5-tetramethylanilino)butanedioic acid (PubChem CID 115144332) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-(N,2,4,5-tetramethylanilino)butanedioic acid.

Molecular Properties

Compound Name2-(N,2,4,5-tetramethylanilino)butanedioic acid
PubChem CID115144332
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name2-(N,2,4,5-tetramethylanilino)butanedioic acid
SMILESCc1cc(C)c(N(C)C(CC(=O)O)C(=O)O)cc1C
InChIInChI=1S/C14H19NO4/c1-8-5-10(3)11(6-9(8)2)15(4)12(14(18)19)7-13(16)17/h5-6,12H,7H2,1-4H3,(H,16,17)(H,18,19)
InChIKeySBPOXDIHXVUZGY-UHFFFAOYSA-N
XLogP1.98
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N,2,4,5-tetramethylanilino)propanoic acid
CID 117041856
2-(2-bromo-N-methylanilino)butanedioic acid
CID 115144355
3-methyl-4-oxo-4-(N,2,4,5-tetramethylanilino)butanoic acid
CID 115164533
2-(N,2-dimethylanilino)butanoic acid
CID 133150219
3-[methyl-(6-methyl-1,3-benzodioxol-5-yl)amino]butanoic acid
CID 117042160
2-(4-methoxy-N-methylanilino)butanedioic acid
CID 115144312
2-(N-methyl-4-propylanilino)butanedioic acid
CID 115144318
(2R)-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)-methylamino]butanedioic acid
CID 68509384
2-(3-methoxy-N-methylanilino)butanedioic acid
CID 115144348
2-(N,2-dimethylanilino)pent-4-enoic acid
CID 70010050
3-(2,4,5-trimethylphenyl)butanoic acid
CID 4206732
2-[bis(1,2-dicarboxyethyl)amino]butanedioic acid
CID 87974974

Frequently Asked Questions

What is the IUPAC name of 2-(N,2,4,5-tetramethylanilino)butanedioic acid?
The IUPAC name of 2-(N,2,4,5-tetramethylanilino)butanedioic acid (CID 115144332) is 2-(N,2,4,5-tetramethylanilino)butanedioic acid.
What is the SMILES notation for 2-(N,2,4,5-tetramethylanilino)butanedioic acid?
The canonical SMILES for 2-(N,2,4,5-tetramethylanilino)butanedioic acid is Cc1cc(C)c(N(C)C(CC(=O)O)C(=O)O)cc1C.
What is the InChIKey of 2-(N,2,4,5-tetramethylanilino)butanedioic acid?
The InChIKey is SBPOXDIHXVUZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-8-5-10(3)11(6-9(8)2)15(4)12(14(18)19)7-13(16)17/h5-6,12H,7H2,1-4H3,(H,16,17)(H,18,19).
What are the key properties of 2-(N,2,4,5-tetramethylanilino)butanedioic acid?
2-(N,2,4,5-tetramethylanilino)butanedioic acid has a molecular weight of 265.31 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N,2,4,5-tetramethylanilino)butanedioic acid is sourced from PubChem (CID 115144332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).