4-[[2-(dimethylamino)-2-oxoethyl]-propylamino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid

C15H28N2O4 — CID 61042046

IUPAC4-[[2-(dimethylamino)-2-oxoethyl]-propylamino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
SMILESCCCN(CC(=O)N(C)C)C(=O)CC(C)(C(=O)O)C(C)C
InChIInChI=1S/C15H28N2O4/c1-7-8-17(10-13(19)16(5)6)12(18)9-15(4,11(2)3)14(20)21/h11H,7-10H2,1-6H3,(H,20,21)
InChIKeyUQVUIOGWMUCSPH-UHFFFAOYSA-N
MW300.40 g/mol
LogP1.45
Rot. Bonds8

About 4-[[2-(dimethylamino)-2-oxoethyl]-propylamino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid

4-[[2-(dimethylamino)-2-oxoethyl]-propylamino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid (PubChem CID 61042046) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is 4-[[2-(dimethylamino)-2-oxoethyl]-propylamino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid.

Molecular Properties

Compound Name4-[[2-(dimethylamino)-2-oxoethyl]-propylamino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
PubChem CID61042046
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Name4-[[2-(dimethylamino)-2-oxoethyl]-propylamino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
SMILESCCCN(CC(=O)N(C)C)C(=O)CC(C)(C(=O)O)C(C)C
InChIInChI=1S/C15H28N2O4/c1-7-8-17(10-13(19)16(5)6)12(18)9-15(4,11(2)3)14(20)21/h11H,7-10H2,1-6H3,(H,20,21)
InChIKeyUQVUIOGWMUCSPH-UHFFFAOYSA-N
XLogP1.45
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(dimethylamino)-2-oxoethyl]-propylamino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid?
The IUPAC name of 4-[[2-(dimethylamino)-2-oxoethyl]-propylamino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid (CID 61042046) is 4-[[2-(dimethylamino)-2-oxoethyl]-propylamino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid.
What is the SMILES notation for 4-[[2-(dimethylamino)-2-oxoethyl]-propylamino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid?
The canonical SMILES for 4-[[2-(dimethylamino)-2-oxoethyl]-propylamino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid is CCCN(CC(=O)N(C)C)C(=O)CC(C)(C(=O)O)C(C)C.
What is the InChIKey of 4-[[2-(dimethylamino)-2-oxoethyl]-propylamino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid?
The InChIKey is UQVUIOGWMUCSPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-7-8-17(10-13(19)16(5)6)12(18)9-15(4,11(2)3)14(20)21/h11H,7-10H2,1-6H3,(H,20,21).
What are the key properties of 4-[[2-(dimethylamino)-2-oxoethyl]-propylamino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid?
4-[[2-(dimethylamino)-2-oxoethyl]-propylamino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid has a molecular weight of 300.40 g/mol, XLogP of 1.45, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(dimethylamino)-2-oxoethyl]-propylamino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid is sourced from PubChem (CID 61042046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).