4-(3-butoxypropylamino)-4-oxobutanoic acid

C11H21NO4 — CID 3451774

IUPAC4-(3-butoxypropylamino)-4-oxobutanoic acid
SMILESCCCCOCCCNC(=O)CCC(=O)O
InChIInChI=1S/C11H21NO4/c1-2-3-8-16-9-4-7-12-10(13)5-6-11(14)15/h2-9H2,1H3,(H,12,13)(H,14,15)
InChIKeyLXBGPRSCHAKCLZ-UHFFFAOYSA-N
MW231.29 g/mol
LogP1.17
Rot. Bonds10

About 4-(3-butoxypropylamino)-4-oxobutanoic acid

4-(3-butoxypropylamino)-4-oxobutanoic acid (PubChem CID 3451774) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is 4-(3-butoxypropylamino)-4-oxobutanoic acid.

Molecular Properties

Compound Name4-(3-butoxypropylamino)-4-oxobutanoic acid
PubChem CID3451774
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Name4-(3-butoxypropylamino)-4-oxobutanoic acid
SMILESCCCCOCCCNC(=O)CCC(=O)O
InChIInChI=1S/C11H21NO4/c1-2-3-8-16-9-4-7-12-10(13)5-6-11(14)15/h2-9H2,1H3,(H,12,13)(H,14,15)
InChIKeyLXBGPRSCHAKCLZ-UHFFFAOYSA-N
XLogP1.17
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-butoxypropylamino)-4-oxobutanoic acid?
The IUPAC name of 4-(3-butoxypropylamino)-4-oxobutanoic acid (CID 3451774) is 4-(3-butoxypropylamino)-4-oxobutanoic acid.
What is the SMILES notation for 4-(3-butoxypropylamino)-4-oxobutanoic acid?
The canonical SMILES for 4-(3-butoxypropylamino)-4-oxobutanoic acid is CCCCOCCCNC(=O)CCC(=O)O.
What is the InChIKey of 4-(3-butoxypropylamino)-4-oxobutanoic acid?
The InChIKey is LXBGPRSCHAKCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-2-3-8-16-9-4-7-12-10(13)5-6-11(14)15/h2-9H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 4-(3-butoxypropylamino)-4-oxobutanoic acid?
4-(3-butoxypropylamino)-4-oxobutanoic acid has a molecular weight of 231.29 g/mol, XLogP of 1.17, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-butoxypropylamino)-4-oxobutanoic acid is sourced from PubChem (CID 3451774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).