2-[2-[(2-amino-5-oxooctanoyl)amino]propanoylamino]butanoic acid

C15H27N3O5 — CID 159332078

IUPAC2-[2-[(2-amino-5-oxooctanoyl)amino]propanoylamino]butanoic acid
SMILESCCCC(=O)CCC(N)C(=O)NC(C)C(=O)NC(CC)C(=O)O
InChIInChI=1S/C15H27N3O5/c1-4-6-10(19)7-8-11(16)14(21)17-9(3)13(20)18-12(5-2)15(22)23/h9,11-12H,4-8,16H2,1-3H3,(H,17,21)(H,18,20)(H,22,23)
InChIKeyXYEVZWFVIIZLSL-UHFFFAOYSA-N
MW329.40 g/mol
LogP-0.05
Rot. Bonds11

About 2-[2-[(2-amino-5-oxooctanoyl)amino]propanoylamino]butanoic acid

2-[2-[(2-amino-5-oxooctanoyl)amino]propanoylamino]butanoic acid (PubChem CID 159332078) has the molecular formula C15H27N3O5 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-[2-[(2-amino-5-oxooctanoyl)amino]propanoylamino]butanoic acid.

Molecular Properties

Compound Name2-[2-[(2-amino-5-oxooctanoyl)amino]propanoylamino]butanoic acid
PubChem CID159332078
Molecular FormulaC15H27N3O5
Molecular Weight329.40 g/mol
Exact Mass329.20
IUPAC Name2-[2-[(2-amino-5-oxooctanoyl)amino]propanoylamino]butanoic acid
SMILESCCCC(=O)CCC(N)C(=O)NC(C)C(=O)NC(CC)C(=O)O
InChIInChI=1S/C15H27N3O5/c1-4-6-10(19)7-8-11(16)14(21)17-9(3)13(20)18-12(5-2)15(22)23/h9,11-12H,4-8,16H2,1-3H3,(H,17,21)(H,18,20)(H,22,23)
InChIKeyXYEVZWFVIIZLSL-UHFFFAOYSA-N
XLogP-0.05
TPSA138.59 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 5-0.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[[(2S)-2-[(2-amino-5-oxooctanoyl)amino]propanoyl]amino]-3-sulfanylpropanoic acid
CID 160834902
(2R)-2-[[(2S)-2-[(2-amino-5-oxooctanoyl)amino]propanoyl]amino]-3-sulfanylpropanoic acid;carbon dioxide;1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane
CID 160834901
(2S)-4-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]propanoyl]amino]-5-oxopentanoyl]amino]-4-oxobutanoic acid
CID 88715906
2-[[5-amino-2-[2-[(2,5-diamino-5-oxopentanoyl)amino]propanoylamino]-5-oxopentanoyl]amino]butanedioic acid
CID 22700692
2-[[2-[2-[(2-amino-4-carboxybutanoyl)amino]propanoylamino]-4-carboxybutanoyl]amino]butanedioic acid
CID 18262561
2-[[2-[[2-[2-[(2-amino-4-carboxybutanoyl)amino]propanoylamino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]butanedioic acid
CID 23320490
(4S)-4-amino-5-[[(2S)-1-[[(1S)-3-amino-1-carboxy-3-oxopropyl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
CID 145455285
4-amino-5-[[4-carboxy-1-[[1-(1-carboxyethylamino)-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
CID 18264447
4-amino-5-[[1-[[4-amino-1-[(3-amino-1-carboxy-3-oxopropyl)amino]-1,4-dioxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
CID 18262503
2-[[2-[2-[(2-amino-4-carboxybutanoyl)amino]propanoylamino]-3-hydroxypropanoyl]amino]pentanedioic acid
CID 18262759
5-amino-2-[2-[(2-amino-3-hydroxypropanoyl)amino]propanoylamino]-5-oxopentanoic acid
CID 18223791
4-amino-5-[[1-[[1-[(1-carboxy-3-methylsulfanylpropyl)amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
CID 18262473

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-amino-5-oxooctanoyl)amino]propanoylamino]butanoic acid?
The IUPAC name of 2-[2-[(2-amino-5-oxooctanoyl)amino]propanoylamino]butanoic acid (CID 159332078) is 2-[2-[(2-amino-5-oxooctanoyl)amino]propanoylamino]butanoic acid.
What is the SMILES notation for 2-[2-[(2-amino-5-oxooctanoyl)amino]propanoylamino]butanoic acid?
The canonical SMILES for 2-[2-[(2-amino-5-oxooctanoyl)amino]propanoylamino]butanoic acid is CCCC(=O)CCC(N)C(=O)NC(C)C(=O)NC(CC)C(=O)O.
What is the InChIKey of 2-[2-[(2-amino-5-oxooctanoyl)amino]propanoylamino]butanoic acid?
The InChIKey is XYEVZWFVIIZLSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O5/c1-4-6-10(19)7-8-11(16)14(21)17-9(3)13(20)18-12(5-2)15(22)23/h9,11-12H,4-8,16H2,1-3H3,(H,17,21)(H,18,20)(H,22,23).
What are the key properties of 2-[2-[(2-amino-5-oxooctanoyl)amino]propanoylamino]butanoic acid?
2-[2-[(2-amino-5-oxooctanoyl)amino]propanoylamino]butanoic acid has a molecular weight of 329.40 g/mol, XLogP of -0.05, 11 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-amino-5-oxooctanoyl)amino]propanoylamino]butanoic acid is sourced from PubChem (CID 159332078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).