4-[bis(2-propoxyethyl)amino]-4-oxobutanoic acid

C14H27NO5 — CID 157105039

IUPAC4-[bis(2-propoxyethyl)amino]-4-oxobutanoic acid
SMILESCCCOCCN(CCOCCC)C(=O)CCC(=O)O
InChIInChI=1S/C14H27NO5/c1-3-9-19-11-7-15(8-12-20-10-4-2)13(16)5-6-14(17)18/h3-12H2,1-2H3,(H,17,18)
InChIKeyBHZBLRQMTMEBSP-UHFFFAOYSA-N
MW289.37 g/mol
LogP1.53
Rot. Bonds13

About 4-[bis(2-propoxyethyl)amino]-4-oxobutanoic acid

4-[bis(2-propoxyethyl)amino]-4-oxobutanoic acid (PubChem CID 157105039) has the molecular formula C14H27NO5 and a molecular weight of 289.37 g/mol. Its IUPAC name is 4-[bis(2-propoxyethyl)amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[bis(2-propoxyethyl)amino]-4-oxobutanoic acid
PubChem CID157105039
Molecular FormulaC14H27NO5
Molecular Weight289.37 g/mol
Exact Mass289.19
IUPAC Name4-[bis(2-propoxyethyl)amino]-4-oxobutanoic acid
SMILESCCCOCCN(CCOCCC)C(=O)CCC(=O)O
InChIInChI=1S/C14H27NO5/c1-3-9-19-11-7-15(8-12-20-10-4-2)13(16)5-6-14(17)18/h3-12H2,1-2H3,(H,17,18)
InChIKeyBHZBLRQMTMEBSP-UHFFFAOYSA-N
XLogP1.53
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[bis(2-propoxyethyl)amino]-4-oxobutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[bis(2-propoxyethyl)amino]-4-oxobutanoic acid?
The IUPAC name of 4-[bis(2-propoxyethyl)amino]-4-oxobutanoic acid (CID 157105039) is 4-[bis(2-propoxyethyl)amino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[bis(2-propoxyethyl)amino]-4-oxobutanoic acid?
The canonical SMILES for 4-[bis(2-propoxyethyl)amino]-4-oxobutanoic acid is CCCOCCN(CCOCCC)C(=O)CCC(=O)O.
What is the InChIKey of 4-[bis(2-propoxyethyl)amino]-4-oxobutanoic acid?
The InChIKey is BHZBLRQMTMEBSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO5/c1-3-9-19-11-7-15(8-12-20-10-4-2)13(16)5-6-14(17)18/h3-12H2,1-2H3,(H,17,18).
What are the key properties of 4-[bis(2-propoxyethyl)amino]-4-oxobutanoic acid?
4-[bis(2-propoxyethyl)amino]-4-oxobutanoic acid has a molecular weight of 289.37 g/mol, XLogP of 1.53, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(2-propoxyethyl)amino]-4-oxobutanoic acid is sourced from PubChem (CID 157105039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).