4-(diacetylamino)butanoic acid

C8H13NO4 — CID 82075276

IUPAC4-(diacetylamino)butanoic acid
SMILESCC(=O)N(CCCC(=O)O)C(C)=O
InChIInChI=1S/C8H13NO4/c1-6(10)9(7(2)11)5-3-4-8(12)13/h3-5H2,1-2H3,(H,12,13)
InChIKeyOOTXPIHJJMOWMX-UHFFFAOYSA-N
MW187.19 g/mol
LogP0.25
Rot. Bonds4

About 4-(diacetylamino)butanoic acid

4-(diacetylamino)butanoic acid (PubChem CID 82075276) has the molecular formula C8H13NO4 and a molecular weight of 187.19 g/mol. Its IUPAC name is 4-(diacetylamino)butanoic acid.

Molecular Properties

Compound Name4-(diacetylamino)butanoic acid
PubChem CID82075276
Molecular FormulaC8H13NO4
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name4-(diacetylamino)butanoic acid
SMILESCC(=O)N(CCCC(=O)O)C(C)=O
InChIInChI=1S/C8H13NO4/c1-6(10)9(7(2)11)5-3-4-8(12)13/h3-5H2,1-2H3,(H,12,13)
InChIKeyOOTXPIHJJMOWMX-UHFFFAOYSA-N
XLogP0.25
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,5-Dioxopyrrolidin-1-yl)butanoic acid
CID 303583
4-(2-Oxopyrrolidin-1-yl)butanoic acid
CID 3146689
4-(Diethylamino)-4-oxobutanoic acid
CID 15205
4-Oxo-4-(2-oxo-1-pyrrolidinyl)butyric acid
CID 14811461
3-(Dipropylcarbamoyl)propanoic acid
CID 16772313
3-[Methyl(propan-2-yl)carbamoyl]propanoic acid
CID 16787139
4-[(Methoxycarbonyl)(methyl)amino]butanoic acid
CID 18442970
4-[Acetyl(hydroxy)amino]butanoic acid
CID 56666828
4-(Dibutylamino)-4-oxobutanoic acid
CID 3380456
4-[3-Carboxypropyl(methyl)amino]butanoic acid
CID 20818054
4-[Ethyl(prop-2-ynyl)amino]-4-oxobutanoic acid
CID 81796971
4-[Methyl(3,3,3-trifluoropropanoyl)amino]butanoic acid
CID 43151856

Frequently Asked Questions

What is the IUPAC name of 4-(diacetylamino)butanoic acid?
The IUPAC name of 4-(diacetylamino)butanoic acid (CID 82075276) is 4-(diacetylamino)butanoic acid.
What is the SMILES notation for 4-(diacetylamino)butanoic acid?
The canonical SMILES for 4-(diacetylamino)butanoic acid is CC(=O)N(CCCC(=O)O)C(C)=O.
What is the InChIKey of 4-(diacetylamino)butanoic acid?
The InChIKey is OOTXPIHJJMOWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO4/c1-6(10)9(7(2)11)5-3-4-8(12)13/h3-5H2,1-2H3,(H,12,13).
What are the key properties of 4-(diacetylamino)butanoic acid?
4-(diacetylamino)butanoic acid has a molecular weight of 187.19 g/mol, XLogP of 0.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diacetylamino)butanoic acid is sourced from PubChem (CID 82075276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).