4-(2-aminoethylamino)-2,2-dimethyl-4-oxobutanoic acid

C8H16N2O3 — CID 65302363

IUPAC4-(2-aminoethylamino)-2,2-dimethyl-4-oxobutanoic acid
SMILESCC(C)(CC(=O)NCCN)C(=O)O
InChIInChI=1S/C8H16N2O3/c1-8(2,7(12)13)5-6(11)10-4-3-9/h3-5,9H2,1-2H3,(H,10,11)(H,12,13)
InChIKeyQQCNBISUHZRTIZ-UHFFFAOYSA-N
MW188.23 g/mol
LogP-0.44
Rot. Bonds5

About 4-(2-aminoethylamino)-2,2-dimethyl-4-oxobutanoic acid

4-(2-aminoethylamino)-2,2-dimethyl-4-oxobutanoic acid (PubChem CID 65302363) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is 4-(2-aminoethylamino)-2,2-dimethyl-4-oxobutanoic acid.

Molecular Properties

Compound Name4-(2-aminoethylamino)-2,2-dimethyl-4-oxobutanoic acid
PubChem CID65302363
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Name4-(2-aminoethylamino)-2,2-dimethyl-4-oxobutanoic acid
SMILESCC(C)(CC(=O)NCCN)C(=O)O
InChIInChI=1S/C8H16N2O3/c1-8(2,7(12)13)5-6(11)10-4-3-9/h3-5,9H2,1-2H3,(H,10,11)(H,12,13)
InChIKeyQQCNBISUHZRTIZ-UHFFFAOYSA-N
XLogP-0.44
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-hydroxybutylamino)-2,2-dimethyl-4-oxobutanoic acid
CID 106840413
4-(3-methoxypropylamino)-2,2-dimethyl-4-oxobutanoic acid
CID 65298010
N-(2-aminoethyl)-5-hydroxy-3,3-dimethylpentanamide
CID 57198564
2,2-dimethyl-4-oxo-4-(2-propan-2-yloxyethylamino)butanoic acid
CID 104759067
4-[(2-methoxy-2-oxoethyl)amino]-2,2-dimethyl-4-oxobutanoic acid
CID 65302151
2,2-dimethyl-4-[[3-(2-methylpropylamino)-3-oxopropyl]amino]-4-oxobutanoic acid
CID 113409591
4-[2-(ethylsulfamoyl)ethylamino]-2,2-dimethyl-4-oxobutanoic acid
CID 106334761
4-(3-ethoxypropylamino)-2,2-dimethyl-4-oxobutanoic acid
CID 65297863
4-[(4-hydroxy-2,2-dimethylbutyl)amino]-2,2-dimethyl-4-oxobutanoic acid
CID 106142171
2,2-dimethyl-4-oxo-4-(2-sulfamoylethylcarbamoylamino)butanoic acid
CID 65300232
1-N,1-N,1-N-tris(2-aminoethyl)ethane-1,1,1-tricarboxamide
CID 15388023
N-(2-aminoethyl)-3-oxobutanamide
CID 3020471

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethylamino)-2,2-dimethyl-4-oxobutanoic acid?
The IUPAC name of 4-(2-aminoethylamino)-2,2-dimethyl-4-oxobutanoic acid (CID 65302363) is 4-(2-aminoethylamino)-2,2-dimethyl-4-oxobutanoic acid.
What is the SMILES notation for 4-(2-aminoethylamino)-2,2-dimethyl-4-oxobutanoic acid?
The canonical SMILES for 4-(2-aminoethylamino)-2,2-dimethyl-4-oxobutanoic acid is CC(C)(CC(=O)NCCN)C(=O)O.
What is the InChIKey of 4-(2-aminoethylamino)-2,2-dimethyl-4-oxobutanoic acid?
The InChIKey is QQCNBISUHZRTIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-8(2,7(12)13)5-6(11)10-4-3-9/h3-5,9H2,1-2H3,(H,10,11)(H,12,13).
What are the key properties of 4-(2-aminoethylamino)-2,2-dimethyl-4-oxobutanoic acid?
4-(2-aminoethylamino)-2,2-dimethyl-4-oxobutanoic acid has a molecular weight of 188.23 g/mol, XLogP of -0.44, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethylamino)-2,2-dimethyl-4-oxobutanoic acid is sourced from PubChem (CID 65302363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).