4-(5-oxopentylideneamino)butanoic acid

C9H15NO3 — CID 88555406

IUPAC4-(5-oxopentylideneamino)butanoic acid
SMILESO=CCCC/C=N/CCCC(=O)O
InChIInChI=1S/C9H15NO3/c11-8-3-1-2-6-10-7-4-5-9(12)13/h6,8H,1-5,7H2,(H,12,13)/b10-6+
InChIKeyHVPCGTGKYSGQFH-UXBLZVDNSA-N
MW185.22 g/mol
LogP1.29
Rot. Bonds8

About 4-(5-oxopentylideneamino)butanoic acid

4-(5-oxopentylideneamino)butanoic acid (PubChem CID 88555406) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 4-(5-oxopentylideneamino)butanoic acid.

Molecular Properties

Compound Name4-(5-oxopentylideneamino)butanoic acid
PubChem CID88555406
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name4-(5-oxopentylideneamino)butanoic acid
SMILESO=CCCC/C=N/CCCC(=O)O
InChIInChI=1S/C9H15NO3/c11-8-3-1-2-6-10-7-4-5-9(12)13/h6,8H,1-5,7H2,(H,12,13)/b10-6+
InChIKeyHVPCGTGKYSGQFH-UXBLZVDNSA-N
XLogP1.29
TPSA66.73 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(E)-14-oxotetradec-9-enoic acid
CID 118354621
6,19-dioxononadecanoic acid
CID 174486192
5-(aminomethylideneamino)pentanoic acid
CID 142073691
(E)-10-oxodec-4-enoic acid
CID 6365679
4-hydroxybutanoic acid;4-oxobutanoic acid
CID 89310122
6-(8-oxooctylsulfanyl)hexanoic acid
CID 155263954
(9E)-9-hydroxyiminononanoic acid
CID 135344053
9,12-dioxododecanoic acid
CID 5312888
8-hydrazinylideneoctanoic acid
CID 88746391
potassium;8-bromooctanoic acid;(8E)-8-hydroxyiminooctanoic acid;8-hydroxyoctanoic acid;8-oxooctanoic acid;hydroxide
CID 172957193
butanedioic acid;decanedioic acid;hexanedioic acid
CID 137367158
butanedioic acid;decanedioic acid;hexanedioic acid;octanedioic acid
CID 157217252

Frequently Asked Questions

What is the IUPAC name of 4-(5-oxopentylideneamino)butanoic acid?
The IUPAC name of 4-(5-oxopentylideneamino)butanoic acid (CID 88555406) is 4-(5-oxopentylideneamino)butanoic acid.
What is the SMILES notation for 4-(5-oxopentylideneamino)butanoic acid?
The canonical SMILES for 4-(5-oxopentylideneamino)butanoic acid is O=CCCC/C=N/CCCC(=O)O.
What is the InChIKey of 4-(5-oxopentylideneamino)butanoic acid?
The InChIKey is HVPCGTGKYSGQFH-UXBLZVDNSA-N. The full InChI is InChI=1S/C9H15NO3/c11-8-3-1-2-6-10-7-4-5-9(12)13/h6,8H,1-5,7H2,(H,12,13)/b10-6+.
What are the key properties of 4-(5-oxopentylideneamino)butanoic acid?
4-(5-oxopentylideneamino)butanoic acid has a molecular weight of 185.22 g/mol, XLogP of 1.29, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-oxopentylideneamino)butanoic acid is sourced from PubChem (CID 88555406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).