4-amino-5-oxo-5-[2-(4-oxopentanoyloxy)ethoxy]pentanoic acid

C12H19NO7 — CID 88870224

IUPAC4-amino-5-oxo-5-[2-(4-oxopentanoyloxy)ethoxy]pentanoic acid
SMILESCC(=O)CCC(=O)OCCOC(=O)C(N)CCC(=O)O
InChIInChI=1S/C12H19NO7/c1-8(14)2-5-11(17)19-6-7-20-12(18)9(13)3-4-10(15)16/h9H,2-7,13H2,1H3,(H,15,16)
InChIKeyPEPSXNGOWKJBHX-UHFFFAOYSA-N
MW289.28 g/mol
LogP-0.37
Rot. Bonds10

About 4-amino-5-oxo-5-[2-(4-oxopentanoyloxy)ethoxy]pentanoic acid

4-amino-5-oxo-5-[2-(4-oxopentanoyloxy)ethoxy]pentanoic acid (PubChem CID 88870224) has the molecular formula C12H19NO7 and a molecular weight of 289.28 g/mol. Its IUPAC name is 4-amino-5-oxo-5-[2-(4-oxopentanoyloxy)ethoxy]pentanoic acid.

Molecular Properties

Compound Name4-amino-5-oxo-5-[2-(4-oxopentanoyloxy)ethoxy]pentanoic acid
PubChem CID88870224
Molecular FormulaC12H19NO7
Molecular Weight289.28 g/mol
Exact Mass289.12
IUPAC Name4-amino-5-oxo-5-[2-(4-oxopentanoyloxy)ethoxy]pentanoic acid
SMILESCC(=O)CCC(=O)OCCOC(=O)C(N)CCC(=O)O
InChIInChI=1S/C12H19NO7/c1-8(14)2-5-11(17)19-6-7-20-12(18)9(13)3-4-10(15)16/h9H,2-7,13H2,1H3,(H,15,16)
InChIKeyPEPSXNGOWKJBHX-UHFFFAOYSA-N
XLogP-0.37
TPSA132.99 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.28
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(2-amino-4-carboxybutanoyl)oxyethyl-trimethylazanium chloride
CID 3028000
4-amino-5-[2-(dimethylamino)ethoxy]-5-oxopentanoic acid
CID 170721410
2-[2-[2-[2-(4-oxopentanoyloxy)ethoxy]ethoxy]ethoxy]ethyl 4-oxopentanoate
CID 90396446
4-oxo-4-[2-[2-(4-oxopentanoyloxy)ethoxy]ethoxy]butanoic acid;2-(2-propanoyloxyethoxy)ethyl propanoate
CID 160907308
dibutyl (2S)-2-aminopentanedioate;hydrochloride
CID 13126106
(4R)-4-amino-5-methoxy-5-oxopentanoic acid
CID 54301988
disodium;4-amino-5-oxo-5-pentoxypentanoic acid;hydride
CID 173171637
2-amino-4-(3-carboxypropanoyloxy)butanoic acid
CID 954
(4R)-5-acetylperoxy-4-amino-5-oxopentanoic acid
CID 141485136
dioctadecyl 2-aminopentanedioate
CID 10078023
dipentyl (2S)-2-aminopentanedioate;hydrochloride
CID 139951057
ditetradecyl 2-aminopentanedioate
CID 14459260

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-oxo-5-[2-(4-oxopentanoyloxy)ethoxy]pentanoic acid?
The IUPAC name of 4-amino-5-oxo-5-[2-(4-oxopentanoyloxy)ethoxy]pentanoic acid (CID 88870224) is 4-amino-5-oxo-5-[2-(4-oxopentanoyloxy)ethoxy]pentanoic acid.
What is the SMILES notation for 4-amino-5-oxo-5-[2-(4-oxopentanoyloxy)ethoxy]pentanoic acid?
The canonical SMILES for 4-amino-5-oxo-5-[2-(4-oxopentanoyloxy)ethoxy]pentanoic acid is CC(=O)CCC(=O)OCCOC(=O)C(N)CCC(=O)O.
What is the InChIKey of 4-amino-5-oxo-5-[2-(4-oxopentanoyloxy)ethoxy]pentanoic acid?
The InChIKey is PEPSXNGOWKJBHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO7/c1-8(14)2-5-11(17)19-6-7-20-12(18)9(13)3-4-10(15)16/h9H,2-7,13H2,1H3,(H,15,16).
What are the key properties of 4-amino-5-oxo-5-[2-(4-oxopentanoyloxy)ethoxy]pentanoic acid?
4-amino-5-oxo-5-[2-(4-oxopentanoyloxy)ethoxy]pentanoic acid has a molecular weight of 289.28 g/mol, XLogP of -0.37, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-oxo-5-[2-(4-oxopentanoyloxy)ethoxy]pentanoic acid is sourced from PubChem (CID 88870224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).