2-(4-aminobutanoylamino)-N,N,4-trimethylpentanamide

C12H25N3O2 — CID 43699929

IUPAC2-(4-aminobutanoylamino)-N,N,4-trimethylpentanamide
SMILESCC(C)CC(NC(=O)CCCN)C(=O)N(C)C
InChIInChI=1S/C12H25N3O2/c1-9(2)8-10(12(17)15(3)4)14-11(16)6-5-7-13/h9-10H,5-8,13H2,1-4H3,(H,14,16)
InChIKeyLHUYGHOVZKWHDM-UHFFFAOYSA-N
MW243.35 g/mol
LogP0.34
Rot. Bonds7

About 2-(4-aminobutanoylamino)-N,N,4-trimethylpentanamide

2-(4-aminobutanoylamino)-N,N,4-trimethylpentanamide (PubChem CID 43699929) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-(4-aminobutanoylamino)-N,N,4-trimethylpentanamide.

Molecular Properties

Compound Name2-(4-aminobutanoylamino)-N,N,4-trimethylpentanamide
PubChem CID43699929
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name2-(4-aminobutanoylamino)-N,N,4-trimethylpentanamide
SMILESCC(C)CC(NC(=O)CCCN)C(=O)N(C)C
InChIInChI=1S/C12H25N3O2/c1-9(2)8-10(12(17)15(3)4)14-11(16)6-5-7-13/h9-10H,5-8,13H2,1-4H3,(H,14,16)
InChIKeyLHUYGHOVZKWHDM-UHFFFAOYSA-N
XLogP0.34
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 9837243
Melanostatin
CID 92910
Leu-Gly
CID 97364
Valrocemide
CID 6918293
Cyclo(glycyl-L-leucyl)
CID 927723
Cyclo(L-leucyl-L-leucyl)
CID 192731
Cyclo(leucylglycine)
CID 2902
Leucylglycine
CID 79070
LL dipeptide zwitterion
CID 6992072
Cyclo(alanyl-leucyl)
CID 13879946
(2S)-aminobutyryl-L-proline isobutylamide
CID 11499834
L-valyl-L-proline hexylamide
CID 11623539

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminobutanoylamino)-N,N,4-trimethylpentanamide?
The IUPAC name of 2-(4-aminobutanoylamino)-N,N,4-trimethylpentanamide (CID 43699929) is 2-(4-aminobutanoylamino)-N,N,4-trimethylpentanamide.
What is the SMILES notation for 2-(4-aminobutanoylamino)-N,N,4-trimethylpentanamide?
The canonical SMILES for 2-(4-aminobutanoylamino)-N,N,4-trimethylpentanamide is CC(C)CC(NC(=O)CCCN)C(=O)N(C)C.
What is the InChIKey of 2-(4-aminobutanoylamino)-N,N,4-trimethylpentanamide?
The InChIKey is LHUYGHOVZKWHDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-9(2)8-10(12(17)15(3)4)14-11(16)6-5-7-13/h9-10H,5-8,13H2,1-4H3,(H,14,16).
What are the key properties of 2-(4-aminobutanoylamino)-N,N,4-trimethylpentanamide?
2-(4-aminobutanoylamino)-N,N,4-trimethylpentanamide has a molecular weight of 243.35 g/mol, XLogP of 0.34, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminobutanoylamino)-N,N,4-trimethylpentanamide is sourced from PubChem (CID 43699929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).