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

C25H46N8O7 — CID 91125359

IUPAC2-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
SMILESCC(N)C(=O)NC(C)C(=O)NC(C)C(=O)NC(C)C(=O)N1CCCC1.CCC(=O)NC(C)C(=O)NC(C)C(N)=O
InChIInChI=1S/C16H29N5O4.C9H17N3O3/c1-9(17)13(22)18-10(2)14(23)19-11(3)15(24)20-12(4)16(25)21-7-5-6-8-21;1-4-7(13)11-6(3)9(15)12-5(2)8(10)14/h9-12H,5-8,17H2,1-4H3,(H,18,22)(H,19,23)(H,20,24);5-6H,4H2,1-3H3,(H2,10,14)(H,11,13)(H,12,15)
InChIKeyLIWNVSCZZHIZLZ-UHFFFAOYSA-N
MW570.69 g/mol
LogP-2.64
Rot. Bonds12

About 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

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 (PubChem CID 91125359) has the molecular formula C25H46N8O7 and a molecular weight of 570.69 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID91125359
Molecular FormulaC25H46N8O7
Molecular Weight570.69 g/mol
Exact Mass570.35
IUPAC Name2-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
SMILESCC(N)C(=O)NC(C)C(=O)NC(C)C(=O)NC(C)C(=O)N1CCCC1.CCC(=O)NC(C)C(=O)NC(C)C(N)=O
InChIInChI=1S/C16H29N5O4.C9H17N3O3/c1-9(17)13(22)18-10(2)14(23)19-11(3)15(24)20-12(4)16(25)21-7-5-6-8-21;1-4-7(13)11-6(3)9(15)12-5(2)8(10)14/h9-12H,5-8,17H2,1-4H3,(H,18,22)(H,19,23)(H,20,24);5-6H,4H2,1-3H3,(H2,10,14)(H,11,13)(H,12,15)
InChIKeyLIWNVSCZZHIZLZ-UHFFFAOYSA-N
XLogP-2.64
TPSA234.92 Ų
H-Bond Donors7
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.69
LogP ≤ 5-2.64
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

4-amino-2-methyl-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pentanamide;2-[2-(propanoylamino)propanoylamino]propanamide
CID 91282006
2-amino-N-[(2S)-1-[(1-amino-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]propanamide
CID 142153826
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
N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2-[2-[2-[protio(tritio)amino]propanoylamino]propanoylamino]propanamide
CID 59335303
(2S)-2-amino-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide;hydrochloride
CID 119292063
(2R)-2-amino-N-(1-amino-1-oxopropan-2-yl)propanamide
CID 78972368
2-methyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide
CID 110280633
2-amino-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide
CID 93360859
N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2-(propylamino)acetamide
CID 113408453
2-amino-3-methyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide
CID 54863272
(2R)-2-amino-3-methyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide
CID 79013484
2-ethyl-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]butanamide
CID 95747727

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(N)C(=O)NC(C)C(=O)NC(C)C(=O)NC(C)C(=O)N1CCCC1.CCC(=O)NC(C)C(=O)NC(C)C(N)=O.
What is the InChIKey of 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?
The InChIKey is LIWNVSCZZHIZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5O4.C9H17N3O3/c1-9(17)13(22)18-10(2)14(23)19-11(3)15(24)20-12(4)16(25)21-7-5-6-8-21;1-4-7(13)11-6(3)9(15)12-5(2)8(10)14/h9-12H,5-8,17H2,1-4H3,(H,18,22)(H,19,23)(H,20,24);5-6H,4H2,1-3H3,(H2,10,14)(H,11,13)(H,12,15).
What are the key properties of 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?
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 has a molecular weight of 570.69 g/mol, XLogP of -2.64, 12 rotatable bonds, 7 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 91125359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).