5-oxo-5-(4-oxobutylamino)pentanoic acid

C9H15NO4 — CID 171934049

IUPAC5-oxo-5-(4-oxobutylamino)pentanoic acid
SMILESO=CCCCNC(=O)CCCC(=O)O
InChIInChI=1S/C9H15NO4/c11-7-2-1-6-10-8(12)4-3-5-9(13)14/h7H,1-6H2,(H,10,12)(H,13,14)
InChIKeyBTVYWZAAHARFGX-UHFFFAOYSA-N
MW201.22 g/mol
LogP0.34
Rot. Bonds8

About 5-oxo-5-(4-oxobutylamino)pentanoic acid

5-oxo-5-(4-oxobutylamino)pentanoic acid (PubChem CID 171934049) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is 5-oxo-5-(4-oxobutylamino)pentanoic acid.

Molecular Properties

Compound Name5-oxo-5-(4-oxobutylamino)pentanoic acid
PubChem CID171934049
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name5-oxo-5-(4-oxobutylamino)pentanoic acid
SMILESO=CCCCNC(=O)CCCC(=O)O
InChIInChI=1S/C9H15NO4/c11-7-2-1-6-10-8(12)4-3-5-9(13)14/h7H,1-6H2,(H,10,12)(H,13,14)
InChIKeyBTVYWZAAHARFGX-UHFFFAOYSA-N
XLogP0.34
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-5-(4-oxobutylamino)pentanoic acid?
The IUPAC name of 5-oxo-5-(4-oxobutylamino)pentanoic acid (CID 171934049) is 5-oxo-5-(4-oxobutylamino)pentanoic acid.
What is the SMILES notation for 5-oxo-5-(4-oxobutylamino)pentanoic acid?
The canonical SMILES for 5-oxo-5-(4-oxobutylamino)pentanoic acid is O=CCCCNC(=O)CCCC(=O)O.
What is the InChIKey of 5-oxo-5-(4-oxobutylamino)pentanoic acid?
The InChIKey is BTVYWZAAHARFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4/c11-7-2-1-6-10-8(12)4-3-5-9(13)14/h7H,1-6H2,(H,10,12)(H,13,14).
What are the key properties of 5-oxo-5-(4-oxobutylamino)pentanoic acid?
5-oxo-5-(4-oxobutylamino)pentanoic acid has a molecular weight of 201.22 g/mol, XLogP of 0.34, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-5-(4-oxobutylamino)pentanoic acid is sourced from PubChem (CID 171934049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).