5-amino-2-[(6-amino-4,4-dimethylhexanoyl)amino]-5-oxopentanoic acid

C13H25N3O4 — CID 65292107

IUPAC5-amino-2-[(6-amino-4,4-dimethylhexanoyl)amino]-5-oxopentanoic acid
SMILESCC(C)(CCN)CCC(=O)NC(CCC(N)=O)C(=O)O
InChIInChI=1S/C13H25N3O4/c1-13(2,7-8-14)6-5-11(18)16-9(12(19)20)3-4-10(15)17/h9H,3-8,14H2,1-2H3,(H2,15,17)(H,16,18)(H,19,20)
InChIKeyDTSIOSVQLFLCSH-UHFFFAOYSA-N
MW287.36 g/mol
LogP-0.02
Rot. Bonds10

About 5-amino-2-[(6-amino-4,4-dimethylhexanoyl)amino]-5-oxopentanoic acid

5-amino-2-[(6-amino-4,4-dimethylhexanoyl)amino]-5-oxopentanoic acid (PubChem CID 65292107) has the molecular formula C13H25N3O4 and a molecular weight of 287.36 g/mol. Its IUPAC name is 5-amino-2-[(6-amino-4,4-dimethylhexanoyl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-amino-2-[(6-amino-4,4-dimethylhexanoyl)amino]-5-oxopentanoic acid
PubChem CID65292107
Molecular FormulaC13H25N3O4
Molecular Weight287.36 g/mol
Exact Mass287.18
IUPAC Name5-amino-2-[(6-amino-4,4-dimethylhexanoyl)amino]-5-oxopentanoic acid
SMILESCC(C)(CCN)CCC(=O)NC(CCC(N)=O)C(=O)O
InChIInChI=1S/C13H25N3O4/c1-13(2,7-8-14)6-5-11(18)16-9(12(19)20)3-4-10(15)17/h9H,3-8,14H2,1-2H3,(H2,15,17)(H,16,18)(H,19,20)
InChIKeyDTSIOSVQLFLCSH-UHFFFAOYSA-N
XLogP-0.02
TPSA135.51 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 5-0.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(6-amino-4,4-dimethylhexanoyl)amino]-4-methylpentanoic acid
CID 79005179
(2S)-5-amino-2-[(3-hydroxy-3-methylbutanoyl)amino]-5-oxopentanoic acid
CID 90239937
(2R)-5-amino-2-(4-aminopentanoylamino)-5-oxopentanoic acid
CID 114006011
2-[[4-[[4-[[4-[[4-[[4-[[4-[[4-[[4-[(4-acetamido-4-carboxybutanoyl)amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-5-amino-5-oxopentanoic acid
CID 123280236
2-[[4-[(4-acetamido-4-carboxybutanoyl)amino]-4-carboxybutanoyl]amino]-5-amino-5-oxopentanoic acid
CID 123933276
(2R)-2-[(6-amino-4,4-dimethylhexanoyl)amino]propanoic acid
CID 65291208
5-amino-2-[[7-[(4-amino-1-carboxy-4-oxobutyl)amino]-7-oxoheptanoyl]amino]-5-oxopentanoic acid
CID 22096663
5-amino-2-[(3-amino-2,2-dimethylpropanoyl)amino]-5-oxopentanoic acid
CID 115426530
5-[[5-[[5-[[4-[[5-[(5-amino-1-methoxy-1,5-dioxopentan-2-yl)amino]-1-methoxy-1,5-dioxopentan-2-yl]amino]-1-carboxy-4-oxobutyl]amino]-1-methoxy-1,5-dioxopentan-2-yl]amino]-1-methoxy-1,5-dioxopentan-2-yl]amino]-2-[[4-[[4-(butanoylamino)-5-methoxy-5-oxopentanoyl]amino]-5-methoxy-5-oxopentanoyl]amino]-5-oxopentanoic acid
CID 177284901
(2S)-5-amino-2-[(2-amino-2-methylpropanoyl)amino]-5-oxopentanoic acid
CID 61267028
5-amino-5-oxo-2-(tetradecanoylamino)pentanoic acid
CID 18318649
(2R)-5-amino-2-(heptanoylamino)-5-oxopentanoic acid
CID 107830072

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(6-amino-4,4-dimethylhexanoyl)amino]-5-oxopentanoic acid?
The IUPAC name of 5-amino-2-[(6-amino-4,4-dimethylhexanoyl)amino]-5-oxopentanoic acid (CID 65292107) is 5-amino-2-[(6-amino-4,4-dimethylhexanoyl)amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-amino-2-[(6-amino-4,4-dimethylhexanoyl)amino]-5-oxopentanoic acid?
The canonical SMILES for 5-amino-2-[(6-amino-4,4-dimethylhexanoyl)amino]-5-oxopentanoic acid is CC(C)(CCN)CCC(=O)NC(CCC(N)=O)C(=O)O.
What is the InChIKey of 5-amino-2-[(6-amino-4,4-dimethylhexanoyl)amino]-5-oxopentanoic acid?
The InChIKey is DTSIOSVQLFLCSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O4/c1-13(2,7-8-14)6-5-11(18)16-9(12(19)20)3-4-10(15)17/h9H,3-8,14H2,1-2H3,(H2,15,17)(H,16,18)(H,19,20).
What are the key properties of 5-amino-2-[(6-amino-4,4-dimethylhexanoyl)amino]-5-oxopentanoic acid?
5-amino-2-[(6-amino-4,4-dimethylhexanoyl)amino]-5-oxopentanoic acid has a molecular weight of 287.36 g/mol, XLogP of -0.02, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(6-amino-4,4-dimethylhexanoyl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 65292107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).