4-[2-(dimethylamino)anilino]-2,3-dimethyl-4-oxobutanoic acid

C14H20N2O3 — CID 103497232

IUPAC4-[2-(dimethylamino)anilino]-2,3-dimethyl-4-oxobutanoic acid
SMILESCC(C(=O)O)C(C)C(=O)Nc1ccccc1N(C)C
InChIInChI=1S/C14H20N2O3/c1-9(10(2)14(18)19)13(17)15-11-7-5-6-8-12(11)16(3)4/h5-10H,1-4H3,(H,15,17)(H,18,19)
InChIKeyGCUJLFCMHIKQBB-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.05
Rot. Bonds5

About 4-[2-(dimethylamino)anilino]-2,3-dimethyl-4-oxobutanoic acid

4-[2-(dimethylamino)anilino]-2,3-dimethyl-4-oxobutanoic acid (PubChem CID 103497232) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 4-[2-(dimethylamino)anilino]-2,3-dimethyl-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[2-(dimethylamino)anilino]-2,3-dimethyl-4-oxobutanoic acid
PubChem CID103497232
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name4-[2-(dimethylamino)anilino]-2,3-dimethyl-4-oxobutanoic acid
SMILESCC(C(=O)O)C(C)C(=O)Nc1ccccc1N(C)C
InChIInChI=1S/C14H20N2O3/c1-9(10(2)14(18)19)13(17)15-11-7-5-6-8-12(11)16(3)4/h5-10H,1-4H3,(H,15,17)(H,18,19)
InChIKeyGCUJLFCMHIKQBB-UHFFFAOYSA-N
XLogP2.05
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)phenyl]-2-methoxypropanamide
CID 47305682
2,3-dimethyl-4-oxo-4-(2-propan-2-ylanilino)butanoic acid
CID 103496084
2,3-dimethyl-4-(2-methylanilino)-4-oxobutanoic acid;methane
CID 158872294
3-[[2-(dimethylamino)phenyl]carbamoylamino]butanoic acid
CID 106760433
1-[2-(dimethylamino)phenyl]-3-phenylurea
CID 110472237
4-(2-tert-butylanilino)-2,3-dimethyl-4-oxobutanoic acid
CID 103496989
2,3-dimethyl-4-oxo-4-(2-propylanilino)butanoic acid
CID 103497022
(2S)-2-amino-N-[2-(dimethylamino)phenyl]-3,3-dimethylbutanamide
CID 61179694
methyl (2S)-2-[[2-(dimethylamino)phenyl]carbamoyl]butanoate
CID 99801098
methyl (2R)-2-[[2-(dimethylamino)phenyl]carbamoyl]butanoate
CID 99801099
(2R)-2-[[2-(dimethylamino)phenyl]carbamoylamino]butanedioic acid
CID 106760427
2-amino-N-[2-(dimethylamino)phenyl]-3-phenylpropanamide
CID 43710155

Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)anilino]-2,3-dimethyl-4-oxobutanoic acid?
The IUPAC name of 4-[2-(dimethylamino)anilino]-2,3-dimethyl-4-oxobutanoic acid (CID 103497232) is 4-[2-(dimethylamino)anilino]-2,3-dimethyl-4-oxobutanoic acid.
What is the SMILES notation for 4-[2-(dimethylamino)anilino]-2,3-dimethyl-4-oxobutanoic acid?
The canonical SMILES for 4-[2-(dimethylamino)anilino]-2,3-dimethyl-4-oxobutanoic acid is CC(C(=O)O)C(C)C(=O)Nc1ccccc1N(C)C.
What is the InChIKey of 4-[2-(dimethylamino)anilino]-2,3-dimethyl-4-oxobutanoic acid?
The InChIKey is GCUJLFCMHIKQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-9(10(2)14(18)19)13(17)15-11-7-5-6-8-12(11)16(3)4/h5-10H,1-4H3,(H,15,17)(H,18,19).
What are the key properties of 4-[2-(dimethylamino)anilino]-2,3-dimethyl-4-oxobutanoic acid?
4-[2-(dimethylamino)anilino]-2,3-dimethyl-4-oxobutanoic acid has a molecular weight of 264.32 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)anilino]-2,3-dimethyl-4-oxobutanoic acid is sourced from PubChem (CID 103497232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).