4-(dibutylamino)-4-oxobutanoic acid

C12H23NO3 — CID 3380456

IUPAC4-(dibutylamino)-4-oxobutanoic acid
SMILESCCCCN(CCCC)C(=O)CCC(=O)O
InChIInChI=1S/C12H23NO3/c1-3-5-9-13(10-6-4-2)11(14)7-8-12(15)16/h3-10H2,1-2H3,(H,15,16)
InChIKeyBULAIZDRJQHIDS-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.28
Rot. Bonds9

About 4-(dibutylamino)-4-oxobutanoic acid

4-(dibutylamino)-4-oxobutanoic acid (PubChem CID 3380456) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 4-(dibutylamino)-4-oxobutanoic acid.

Molecular Properties

Compound Name4-(dibutylamino)-4-oxobutanoic acid
PubChem CID3380456
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name4-(dibutylamino)-4-oxobutanoic acid
SMILESCCCCN(CCCC)C(=O)CCC(=O)O
InChIInChI=1S/C12H23NO3/c1-3-5-9-13(10-6-4-2)11(14)7-8-12(15)16/h3-10H2,1-2H3,(H,15,16)
InChIKeyBULAIZDRJQHIDS-UHFFFAOYSA-N
XLogP2.28
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(dibutylamino)-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

Related Compounds

4-(4-Methylpiperazin-1-yl)-4-oxobutanoic acid
CID 739318
4-(4-Acetylpiperazin-1-yl)-4-oxobutanoic acid
CID 851827
4-Oxo-4-(pyrrolidin-1-yl)butanoic acid
CID 853808
N,N-Dimethylsuccinamic acid
CID 75717
Propyl N,N-diethylsuccinamate
CID 79913
4-(2-Oxopyrrolidin-1-yl)butanoic acid
CID 3146689
4-(Diethylamino)-4-oxobutanoic acid
CID 15205
Butyric acid, 4-(diethylamino)-
CID 44844
3-Carboxypropionamide, N-methyl-N-[4-(1-pyrrolidinyl)-2-butynyl]-
CID 551031
Ethyl 4-(dipropylamino)-4-oxobutanoate
CID 82404
Ethyl 4-(diethylamino)-4-oxobutanoate
CID 347845
4-Oxo-4-(2-oxo-1-pyrrolidinyl)butyric acid
CID 14811461

Frequently Asked Questions

What is the IUPAC name of 4-(dibutylamino)-4-oxobutanoic acid?
The IUPAC name of 4-(dibutylamino)-4-oxobutanoic acid (CID 3380456) is 4-(dibutylamino)-4-oxobutanoic acid.
What is the SMILES notation for 4-(dibutylamino)-4-oxobutanoic acid?
The canonical SMILES for 4-(dibutylamino)-4-oxobutanoic acid is CCCCN(CCCC)C(=O)CCC(=O)O.
What is the InChIKey of 4-(dibutylamino)-4-oxobutanoic acid?
The InChIKey is BULAIZDRJQHIDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-3-5-9-13(10-6-4-2)11(14)7-8-12(15)16/h3-10H2,1-2H3,(H,15,16).
What are the key properties of 4-(dibutylamino)-4-oxobutanoic acid?
4-(dibutylamino)-4-oxobutanoic acid has a molecular weight of 229.32 g/mol, XLogP of 2.28, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dibutylamino)-4-oxobutanoic acid is sourced from PubChem (CID 3380456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).