4-amino-2-methyl-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pentanamide;2-[2-(propanoylamino)propanoylamino]propanamide

C22H42N6O5 — CID 91282006

IUPAC4-amino-2-methyl-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pentanamide;2-[2-(propanoylamino)propanoylamino]propanamide
SMILESCC(N)CC(C)C(=O)NC(C)C(=O)N1CCCC1.CCC(=O)NC(C)C(=O)NC(C)C(N)=O
InChIInChI=1S/C13H25N3O2.C9H17N3O3/c1-9(8-10(2)14)12(17)15-11(3)13(18)16-6-4-5-7-16;1-4-7(13)11-6(3)9(15)12-5(2)8(10)14/h9-11H,4-8,14H2,1-3H3,(H,15,17);5-6H,4H2,1-3H3,(H2,10,14)(H,11,13)(H,12,15)
InChIKeyULCXEDRSXQOHTF-UHFFFAOYSA-N
MW470.62 g/mol
LogP-0.62
Rot. Bonds10

About 4-amino-2-methyl-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pentanamide;2-[2-(propanoylamino)propanoylamino]propanamide

4-amino-2-methyl-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pentanamide;2-[2-(propanoylamino)propanoylamino]propanamide (PubChem CID 91282006) has the molecular formula C22H42N6O5 and a molecular weight of 470.62 g/mol. Its IUPAC name is 4-amino-2-methyl-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pentanamide;2-[2-(propanoylamino)propanoylamino]propanamide.

Molecular Properties

Compound Name4-amino-2-methyl-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pentanamide;2-[2-(propanoylamino)propanoylamino]propanamide
PubChem CID91282006
Molecular FormulaC22H42N6O5
Molecular Weight470.62 g/mol
Exact Mass470.32
IUPAC Name4-amino-2-methyl-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pentanamide;2-[2-(propanoylamino)propanoylamino]propanamide
SMILESCC(N)CC(C)C(=O)NC(C)C(=O)N1CCCC1.CCC(=O)NC(C)C(=O)NC(C)C(N)=O
InChIInChI=1S/C13H25N3O2.C9H17N3O3/c1-9(8-10(2)14)12(17)15-11(3)13(18)16-6-4-5-7-16;1-4-7(13)11-6(3)9(15)12-5(2)8(10)14/h9-11H,4-8,14H2,1-3H3,(H,15,17);5-6H,4H2,1-3H3,(H2,10,14)(H,11,13)(H,12,15)
InChIKeyULCXEDRSXQOHTF-UHFFFAOYSA-N
XLogP-0.62
TPSA176.72 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.62
LogP ≤ 5-0.62
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-N-[1-oxo-1-[[1-oxo-1-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]propan-2-yl]amino]propan-2-yl]propanamide;2-[2-(propanoylamino)propanoylamino]propanamide
CID 91125359
2-methyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide
CID 110280633
2-amino-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-N'-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]butanediamide;2-[2-(propanoylamino)propanoylamino]propanamide
CID 91252215
(2S)-2-amino-4-methyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)pentanamide
CID 61180719
(2S)-2-amino-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide;hydrochloride
CID 119292063
2-amino-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide
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N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2-(propylamino)acetamide
CID 113408453
2-ethyl-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]butanamide
CID 95747727
(2R)-2-amino-3-methyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide
CID 79013484
2-amino-3-methyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide
CID 54863272
2-amino-3,3-dimethyl-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)butanamide
CID 113288460
N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2-[2-[2-[protio(tritio)amino]propanoylamino]propanoylamino]propanamide
CID 59335303

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methyl-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pentanamide;2-[2-(propanoylamino)propanoylamino]propanamide?
The IUPAC name of 4-amino-2-methyl-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pentanamide;2-[2-(propanoylamino)propanoylamino]propanamide (CID 91282006) is 4-amino-2-methyl-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pentanamide;2-[2-(propanoylamino)propanoylamino]propanamide.
What is the SMILES notation for 4-amino-2-methyl-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pentanamide;2-[2-(propanoylamino)propanoylamino]propanamide?
The canonical SMILES for 4-amino-2-methyl-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pentanamide;2-[2-(propanoylamino)propanoylamino]propanamide is CC(N)CC(C)C(=O)NC(C)C(=O)N1CCCC1.CCC(=O)NC(C)C(=O)NC(C)C(N)=O.
What is the InChIKey of 4-amino-2-methyl-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pentanamide;2-[2-(propanoylamino)propanoylamino]propanamide?
The InChIKey is ULCXEDRSXQOHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2.C9H17N3O3/c1-9(8-10(2)14)12(17)15-11(3)13(18)16-6-4-5-7-16;1-4-7(13)11-6(3)9(15)12-5(2)8(10)14/h9-11H,4-8,14H2,1-3H3,(H,15,17);5-6H,4H2,1-3H3,(H2,10,14)(H,11,13)(H,12,15).
What are the key properties of 4-amino-2-methyl-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pentanamide;2-[2-(propanoylamino)propanoylamino]propanamide?
4-amino-2-methyl-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pentanamide;2-[2-(propanoylamino)propanoylamino]propanamide has a molecular weight of 470.62 g/mol, XLogP of -0.62, 10 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methyl-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pentanamide;2-[2-(propanoylamino)propanoylamino]propanamide is sourced from PubChem (CID 91282006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).