5-[(5-amino-4-methylpentanoyl)amino]pentanoic acid

C11H22N2O3 — CID 82689538

IUPAC5-[(5-amino-4-methylpentanoyl)amino]pentanoic acid
SMILESCC(CN)CCC(=O)NCCCCC(=O)O
InChIInChI=1S/C11H22N2O3/c1-9(8-12)5-6-10(14)13-7-3-2-4-11(15)16/h9H,2-8,12H2,1H3,(H,13,14)(H,15,16)
InChIKeyBWMUEFKIIFMHDI-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.73
Rot. Bonds9

About 5-[(5-amino-4-methylpentanoyl)amino]pentanoic acid

5-[(5-amino-4-methylpentanoyl)amino]pentanoic acid (PubChem CID 82689538) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 5-[(5-amino-4-methylpentanoyl)amino]pentanoic acid.

Molecular Properties

Compound Name5-[(5-amino-4-methylpentanoyl)amino]pentanoic acid
PubChem CID82689538
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name5-[(5-amino-4-methylpentanoyl)amino]pentanoic acid
SMILESCC(CN)CCC(=O)NCCCCC(=O)O
InChIInChI=1S/C11H22N2O3/c1-9(8-12)5-6-10(14)13-7-3-2-4-11(15)16/h9H,2-8,12H2,1H3,(H,13,14)(H,15,16)
InChIKeyBWMUEFKIIFMHDI-UHFFFAOYSA-N
XLogP0.73
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-amino-N-(4-hydroxybutyl)-4-methylpentanamide
CID 106842029
N-(5-amino-4-methylpentyl)hexanamide
CID 57163193
5-amino-N-(3-cyanopropyl)-4-methylpentanamide
CID 82010988
5-amino-4-methyl-N-[4-[methyl(propan-2-yl)amino]butyl]pentanamide
CID 82011389
11-(3-aminopropanoylamino)undecanoic acid;ethane
CID 170598343
5-amino-4-methyl-N-[2-(2-methylpropanoylamino)ethyl]pentanamide
CID 82012399
11-(3-aminopropanoylamino)undecanoic acid
CID 170417456
6-(5-aminopentanoylamino)hexanoic acid;ethane
CID 144538701
11-(5-aminopentanoylamino)undecanoic acid;ethane
CID 170598390
12-[[14-(11-carboxyundecylamino)-14-oxotetradecanoyl]amino]dodecanoic acid
CID 139798562
9-[6-(8-carboxyoctanoylamino)hexylamino]-9-oxononanoic acid
CID 139798563
15-(6-aminohexanoylamino)pentadecanoic acid
CID 170598253

Frequently Asked Questions

What is the IUPAC name of 5-[(5-amino-4-methylpentanoyl)amino]pentanoic acid?
The IUPAC name of 5-[(5-amino-4-methylpentanoyl)amino]pentanoic acid (CID 82689538) is 5-[(5-amino-4-methylpentanoyl)amino]pentanoic acid.
What is the SMILES notation for 5-[(5-amino-4-methylpentanoyl)amino]pentanoic acid?
The canonical SMILES for 5-[(5-amino-4-methylpentanoyl)amino]pentanoic acid is CC(CN)CCC(=O)NCCCCC(=O)O.
What is the InChIKey of 5-[(5-amino-4-methylpentanoyl)amino]pentanoic acid?
The InChIKey is BWMUEFKIIFMHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-9(8-12)5-6-10(14)13-7-3-2-4-11(15)16/h9H,2-8,12H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 5-[(5-amino-4-methylpentanoyl)amino]pentanoic acid?
5-[(5-amino-4-methylpentanoyl)amino]pentanoic acid has a molecular weight of 230.31 g/mol, XLogP of 0.73, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-amino-4-methylpentanoyl)amino]pentanoic acid is sourced from PubChem (CID 82689538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).