5-[[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]amino]-3,3-dimethyl-5-oxopentanoic acid

C15H28N2O4 — CID 62934393

IUPAC5-[[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]amino]-3,3-dimethyl-5-oxopentanoic acid
SMILESCC(C)CC(NC(=O)CC(C)(C)CC(=O)O)C(=O)N(C)C
InChIInChI=1S/C15H28N2O4/c1-10(2)7-11(14(21)17(5)6)16-12(18)8-15(3,4)9-13(19)20/h10-11H,7-9H2,1-6H3,(H,16,18)(H,19,20)
InChIKeyJJLQSSSMGIOUJR-UHFFFAOYSA-N
MW300.40 g/mol
LogP1.50
Rot. Bonds8

About 5-[[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]amino]-3,3-dimethyl-5-oxopentanoic acid

5-[[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]amino]-3,3-dimethyl-5-oxopentanoic acid (PubChem CID 62934393) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is 5-[[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]amino]-3,3-dimethyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]amino]-3,3-dimethyl-5-oxopentanoic acid
PubChem CID62934393
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Name5-[[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]amino]-3,3-dimethyl-5-oxopentanoic acid
SMILESCC(C)CC(NC(=O)CC(C)(C)CC(=O)O)C(=O)N(C)C
InChIInChI=1S/C15H28N2O4/c1-10(2)7-11(14(21)17(5)6)16-12(18)8-15(3,4)9-13(19)20/h10-11H,7-9H2,1-6H3,(H,16,18)(H,19,20)
InChIKeyJJLQSSSMGIOUJR-UHFFFAOYSA-N
XLogP1.50
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-[[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]amino]-3,3-dimethyl-5-oxopentanoic acid with MolForge

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Related Compounds

5-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]-3,3-dimethyl-5-oxopentanoic acid
CID 62933194
3,3-dimethyl-5-oxo-5-(propan-2-ylamino)pentanoic acid
CID 58727729
3,3-dimethyl-5-(3-methylbutan-2-ylamino)-5-oxopentanoic acid
CID 62934378
2-[(3-amino-2,2-dimethylpropanoyl)amino]-N,N,4-trimethylpentanamide
CID 115426173
2-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]-N,N,4-trimethylpentanamide
CID 103928611
2-(4-aminobutanoylamino)-N,N,4-trimethylpentanamide
CID 43699929
2-(5-bromopentanoylamino)-N,N,4-trimethylpentanamide
CID 107908629
2-(2-aminobutanoylamino)-N,N,4-trimethylpentanamide
CID 43699936
5-[(2-hydroxy-4-methylpentyl)amino]-3,3-dimethyl-5-oxopentanoic acid
CID 107151222
5-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]amino]-3,3-dimethyl-5-oxopentanoic acid
CID 62934620
2-[[2-(1-aminocyclohexyl)acetyl]amino]-N,N,4-trimethylpentanamide
CID 64685004
N,N,4-trimethyl-2-[(2-piperidin-4-ylacetyl)amino]pentanamide
CID 61029586

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]amino]-3,3-dimethyl-5-oxopentanoic acid?
The IUPAC name of 5-[[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]amino]-3,3-dimethyl-5-oxopentanoic acid (CID 62934393) is 5-[[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]amino]-3,3-dimethyl-5-oxopentanoic acid.
What is the SMILES notation for 5-[[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]amino]-3,3-dimethyl-5-oxopentanoic acid?
The canonical SMILES for 5-[[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]amino]-3,3-dimethyl-5-oxopentanoic acid is CC(C)CC(NC(=O)CC(C)(C)CC(=O)O)C(=O)N(C)C.
What is the InChIKey of 5-[[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]amino]-3,3-dimethyl-5-oxopentanoic acid?
The InChIKey is JJLQSSSMGIOUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-10(2)7-11(14(21)17(5)6)16-12(18)8-15(3,4)9-13(19)20/h10-11H,7-9H2,1-6H3,(H,16,18)(H,19,20).
What are the key properties of 5-[[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]amino]-3,3-dimethyl-5-oxopentanoic acid?
5-[[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]amino]-3,3-dimethyl-5-oxopentanoic acid has a molecular weight of 300.40 g/mol, XLogP of 1.50, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]amino]-3,3-dimethyl-5-oxopentanoic acid is sourced from PubChem (CID 62934393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).