5-(5-amino-4-oxopentanoyl)oxypentanoic acid

C10H17NO5 — CID 73050911

IUPAC5-(5-amino-4-oxopentanoyl)oxypentanoic acid
SMILESNCC(=O)CCC(=O)OCCCCC(=O)O
InChIInChI=1S/C10H17NO5/c11-7-8(12)4-5-10(15)16-6-2-1-3-9(13)14/h1-7,11H2,(H,13,14)
InChIKeyRUBMZQNVTLWVTH-UHFFFAOYSA-N
MW231.25 g/mol
LogP0.09
Rot. Bonds9

About 5-(5-amino-4-oxopentanoyl)oxypentanoic acid

5-(5-amino-4-oxopentanoyl)oxypentanoic acid (PubChem CID 73050911) has the molecular formula C10H17NO5 and a molecular weight of 231.25 g/mol. Its IUPAC name is 5-(5-amino-4-oxopentanoyl)oxypentanoic acid.

Molecular Properties

Compound Name5-(5-amino-4-oxopentanoyl)oxypentanoic acid
PubChem CID73050911
Molecular FormulaC10H17NO5
Molecular Weight231.25 g/mol
Exact Mass231.11
IUPAC Name5-(5-amino-4-oxopentanoyl)oxypentanoic acid
SMILESNCC(=O)CCC(=O)OCCCCC(=O)O
InChIInChI=1S/C10H17NO5/c11-7-8(12)4-5-10(15)16-6-2-1-3-9(13)14/h1-7,11H2,(H,13,14)
InChIKeyRUBMZQNVTLWVTH-UHFFFAOYSA-N
XLogP0.09
TPSA106.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-[4-[4-[4-[4-[4-(3-carboxypropanoyloxy)butoxy]-4-oxobutanoyl]oxybutoxy]-4-oxobutanoyl]oxybutoxy]-6-oxohexanoic acid
CID 101096929
6-[4-[6-[4-[6-[4-[6-[4-[6-[4-[6-[4-(5-carboxypentanoyloxy)butoxy]-6-oxohexanoyl]oxybutoxy]-6-oxohexanoyl]oxybutoxy]-6-oxohexanoyl]oxybutoxy]-6-oxohexanoyl]oxybutoxy]-6-oxohexanoyl]oxybutoxy]-6-oxohexanoic acid
CID 102514507
18-(9-carboxynonanoyloxy)octadecanoic acid
CID 87097649
bis(bis(4-hydroxybutyl) butanedioate);hexanedioic acid
CID 174534613
6-[4-(5-carboxypentanoyloxy)butoxy]-6-oxohexanoic acid;ethane-1,2-diol
CID 87078345
5-[6-(4-carboxybutanoyloxy)hexoxy]-5-oxopentanoic acid
CID 18380135
5-butanoyloxypentanoic acid
CID 54166172
7-(7-hydroxyheptanoyloxy)heptanoic acid
CID 90997926
15-(15-hydroxypentadecanoyloxy)pentadecanoic acid
CID 5204801
5-(6-hydroxyhexanoyloxy)pentanoic acid
CID 87986375
6-[6-[6-[6-[6-[6-[6-[6-[6-(6-hydroxyhexanoyloxy)hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoic acid
CID 88979293
8-(7-hydroxyheptoxy)-8-oxooctanoic acid
CID 162853093

Frequently Asked Questions

What is the IUPAC name of 5-(5-amino-4-oxopentanoyl)oxypentanoic acid?
The IUPAC name of 5-(5-amino-4-oxopentanoyl)oxypentanoic acid (CID 73050911) is 5-(5-amino-4-oxopentanoyl)oxypentanoic acid.
What is the SMILES notation for 5-(5-amino-4-oxopentanoyl)oxypentanoic acid?
The canonical SMILES for 5-(5-amino-4-oxopentanoyl)oxypentanoic acid is NCC(=O)CCC(=O)OCCCCC(=O)O.
What is the InChIKey of 5-(5-amino-4-oxopentanoyl)oxypentanoic acid?
The InChIKey is RUBMZQNVTLWVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO5/c11-7-8(12)4-5-10(15)16-6-2-1-3-9(13)14/h1-7,11H2,(H,13,14).
What are the key properties of 5-(5-amino-4-oxopentanoyl)oxypentanoic acid?
5-(5-amino-4-oxopentanoyl)oxypentanoic acid has a molecular weight of 231.25 g/mol, XLogP of 0.09, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-amino-4-oxopentanoyl)oxypentanoic acid is sourced from PubChem (CID 73050911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).