4-[acetyl(dimethylamino)amino]butanoic acid

C8H16N2O3 — CID 54548760

IUPAC4-[acetyl(dimethylamino)amino]butanoic acid
SMILESCC(=O)N(CCCC(=O)O)N(C)C
InChIInChI=1S/C8H16N2O3/c1-7(11)10(9(2)3)6-4-5-8(12)13/h4-6H2,1-3H3,(H,12,13)
InChIKeyZIKPXYNKORGHMR-UHFFFAOYSA-N
MW188.23 g/mol
LogP0.18
Rot. Bonds5

About 4-[acetyl(dimethylamino)amino]butanoic acid

4-[acetyl(dimethylamino)amino]butanoic acid (PubChem CID 54548760) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is 4-[acetyl(dimethylamino)amino]butanoic acid.

Molecular Properties

Compound Name4-[acetyl(dimethylamino)amino]butanoic acid
PubChem CID54548760
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Name4-[acetyl(dimethylamino)amino]butanoic acid
SMILESCC(=O)N(CCCC(=O)O)N(C)C
InChIInChI=1S/C8H16N2O3/c1-7(11)10(9(2)3)6-4-5-8(12)13/h4-6H2,1-3H3,(H,12,13)
InChIKeyZIKPXYNKORGHMR-UHFFFAOYSA-N
XLogP0.18
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-butyl-N-(3-carboxypropyl)nitrosamine
CID 37993
4-[Dimethylamino(methyl)amino]-4-oxobutanoic acid
CID 71451542
3-(Dipropylcarbamoyl)propanoic acid
CID 16772313
4-(Dibutylamino)-4-oxobutanoic acid
CID 3380456
4-[Butanoyl(dimethylamino)amino]butanoic acid
CID 3024667
4-[Dimethylamino(hexanoyl)amino]butanoic acid
CID 3024669
4-[Dimethylamino(methoxycarbonyl)amino]butanoic acid
CID 3024681
4-(N-methylacetamido)butanoic acid
CID 19900399
4-[Butyl(methyl)amino]-4-oxobutanoic acid
CID 20113866
4-[Dimethylamino(hexanoyl)amino]pentanoic acid
CID 20223771
4-[Acetyl(dimethylamino)amino]pentanoic acid
CID 20223785
4-[Dimethylamino(3-hydroxypropanoyl)amino]butanoic acid
CID 20223793

Frequently Asked Questions

What is the IUPAC name of 4-[acetyl(dimethylamino)amino]butanoic acid?
The IUPAC name of 4-[acetyl(dimethylamino)amino]butanoic acid (CID 54548760) is 4-[acetyl(dimethylamino)amino]butanoic acid.
What is the SMILES notation for 4-[acetyl(dimethylamino)amino]butanoic acid?
The canonical SMILES for 4-[acetyl(dimethylamino)amino]butanoic acid is CC(=O)N(CCCC(=O)O)N(C)C.
What is the InChIKey of 4-[acetyl(dimethylamino)amino]butanoic acid?
The InChIKey is ZIKPXYNKORGHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-7(11)10(9(2)3)6-4-5-8(12)13/h4-6H2,1-3H3,(H,12,13).
What are the key properties of 4-[acetyl(dimethylamino)amino]butanoic acid?
4-[acetyl(dimethylamino)amino]butanoic acid has a molecular weight of 188.23 g/mol, XLogP of 0.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[acetyl(dimethylamino)amino]butanoic acid is sourced from PubChem (CID 54548760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).