5-amino-2-[2-(2-aminopropanoylamino)propanoylamino]-5-oxopentanoic acid

C11H20N4O5 — CID 23077146

IUPAC5-amino-2-[2-(2-aminopropanoylamino)propanoylamino]-5-oxopentanoic acid
SMILESCC(N)C(=O)NC(C)C(=O)NC(CCC(N)=O)C(=O)O
InChIInChI=1S/C11H20N4O5/c1-5(12)9(17)14-6(2)10(18)15-7(11(19)20)3-4-8(13)16/h5-7H,3-4,12H2,1-2H3,(H2,13,16)(H,14,17)(H,15,18)(H,19,20)
InChIKeyBUANFPRKJKJSRR-UHFFFAOYSA-N
MW288.30 g/mol
LogP-2.33
Rot. Bonds8

About 5-amino-2-[2-(2-aminopropanoylamino)propanoylamino]-5-oxopentanoic acid

5-amino-2-[2-(2-aminopropanoylamino)propanoylamino]-5-oxopentanoic acid (PubChem CID 23077146) has the molecular formula C11H20N4O5 and a molecular weight of 288.30 g/mol. Its IUPAC name is 5-amino-2-[2-(2-aminopropanoylamino)propanoylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-amino-2-[2-(2-aminopropanoylamino)propanoylamino]-5-oxopentanoic acid
PubChem CID23077146
Molecular FormulaC11H20N4O5
Molecular Weight288.30 g/mol
Exact Mass288.14
IUPAC Name5-amino-2-[2-(2-aminopropanoylamino)propanoylamino]-5-oxopentanoic acid
SMILESCC(N)C(=O)NC(C)C(=O)NC(CCC(N)=O)C(=O)O
InChIInChI=1S/C11H20N4O5/c1-5(12)9(17)14-6(2)10(18)15-7(11(19)20)3-4-8(13)16/h5-7H,3-4,12H2,1-2H3,(H2,13,16)(H,14,17)(H,15,18)(H,19,20)
InChIKeyBUANFPRKJKJSRR-UHFFFAOYSA-N
XLogP-2.33
TPSA164.61 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 5-2.33
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-2-[[2-[2-(2-aminopropanoylamino)propanoylamino]-4-carboxybutanoyl]amino]-5-oxopentanoic acid
CID 18232688
(2S)-5-amino-2-[[(2S)-2-aminopropanoyl]amino]-5-oxopentanoic acid;ethane
CID 178159244
2-[[5-amino-2-[2-(2-aminopropanoylamino)propanoylamino]-5-oxopentanoyl]amino]-3-hydroxypropanoic acid
CID 18232717
4-amino-2-[2-[[5-amino-2-(2-aminopropanoylamino)-5-oxopentanoyl]amino]propanoylamino]-4-oxobutanoic acid
CID 18234969
5-amino-2-[[2-[2-(2-aminopropanoylamino)propanoylamino]-4-methylsulfanylbutanoyl]amino]-5-oxopentanoic acid
CID 18232828
(2S)-5-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-aminopropanoyl]amino]propanoyl]amino]propanoyl]amino]hexanoyl]amino]-5-oxopentanoic acid
CID 71445994
(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]propanoyl]amino]-5-oxopentanoic acid
CID 145458818
5-amino-2-[2-[(2-amino-3-hydroxypropanoyl)amino]propanoylamino]-5-oxopentanoic acid
CID 18223791
2-[[2-[[5-amino-2-(2-aminopropanoylamino)-5-oxopentanoyl]amino]-4-carboxybutanoyl]amino]pentanedioic acid
CID 18235072
5-amino-2-[[2-(2-aminopropanoylamino)-4-carboxybutanoyl]amino]-5-oxopentanoic acid
CID 18218348
5-amino-2-[[2-[[2-(2-aminopropanoylamino)-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-5-oxopentanoic acid
CID 18240507
5-amino-2-[[2-[[5-amino-2-(2-aminopropanoylamino)-5-oxopentanoyl]amino]-3-sulfanylpropanoyl]amino]-5-oxopentanoic acid
CID 18235053

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[2-(2-aminopropanoylamino)propanoylamino]-5-oxopentanoic acid?
The IUPAC name of 5-amino-2-[2-(2-aminopropanoylamino)propanoylamino]-5-oxopentanoic acid (CID 23077146) is 5-amino-2-[2-(2-aminopropanoylamino)propanoylamino]-5-oxopentanoic acid.
What is the SMILES notation for 5-amino-2-[2-(2-aminopropanoylamino)propanoylamino]-5-oxopentanoic acid?
The canonical SMILES for 5-amino-2-[2-(2-aminopropanoylamino)propanoylamino]-5-oxopentanoic acid is CC(N)C(=O)NC(C)C(=O)NC(CCC(N)=O)C(=O)O.
What is the InChIKey of 5-amino-2-[2-(2-aminopropanoylamino)propanoylamino]-5-oxopentanoic acid?
The InChIKey is BUANFPRKJKJSRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O5/c1-5(12)9(17)14-6(2)10(18)15-7(11(19)20)3-4-8(13)16/h5-7H,3-4,12H2,1-2H3,(H2,13,16)(H,14,17)(H,15,18)(H,19,20).
What are the key properties of 5-amino-2-[2-(2-aminopropanoylamino)propanoylamino]-5-oxopentanoic acid?
5-amino-2-[2-(2-aminopropanoylamino)propanoylamino]-5-oxopentanoic acid has a molecular weight of 288.30 g/mol, XLogP of -2.33, 8 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[2-(2-aminopropanoylamino)propanoylamino]-5-oxopentanoic acid is sourced from PubChem (CID 23077146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).