3-(diacetylamino)propanoic acid

C7H11NO4 — CID 13408783

IUPAC3-(diacetylamino)propanoic acid
SMILESCC(=O)N(CCC(=O)O)C(C)=O
InChIInChI=1S/C7H11NO4/c1-5(9)8(6(2)10)4-3-7(11)12/h3-4H2,1-2H3,(H,11,12)
InChIKeyDQJLSWCGTPTWNV-UHFFFAOYSA-N
MW173.17 g/mol
LogP-0.14
Rot. Bonds3

About 3-(diacetylamino)propanoic acid

3-(diacetylamino)propanoic acid (PubChem CID 13408783) has the molecular formula C7H11NO4 and a molecular weight of 173.17 g/mol. Its IUPAC name is 3-(diacetylamino)propanoic acid.

Molecular Properties

Compound Name3-(diacetylamino)propanoic acid
PubChem CID13408783
Molecular FormulaC7H11NO4
Molecular Weight173.17 g/mol
Exact Mass173.07
IUPAC Name3-(diacetylamino)propanoic acid
SMILESCC(=O)N(CCC(=O)O)C(C)=O
InChIInChI=1S/C7H11NO4/c1-5(9)8(6(2)10)4-3-7(11)12/h3-4H2,1-2H3,(H,11,12)
InChIKeyDQJLSWCGTPTWNV-UHFFFAOYSA-N
XLogP-0.14
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-Diethyl-beta-alanine
CID 247454
3-(N-methylacetamido)propanoic acid
CID 541580
3-(N-Hydroxyacetamido)Propanoic Acid
CID 22959876
N-(2-carboxyethyl)-N-methyl-beta-alanine
CID 13451325
3-((2-Carboxyethyl)(methyl)amino)propanoic acid hydrochloride
CID 117587749
3-(Butylacetylamino)propionic acid
CID 189750
3-[Ethyl(methyl)amino]propanoic acid
CID 17910357
3-[Methyl(propyl)amino]propanoic acid
CID 22259891
3-(2,2,2-trifluoro-N-methylacetamido)propanoic acid
CID 61000945
3-[Carbonofluoridoyl(methyl)amino]propanoic acid
CID 130266766
3-[Acetyl(methyl)amino]-3-oxopropanoic acid
CID 45088623
3-[2-Carboxyethyl(dimethyl)azaniumyl]propanoate
CID 145864271

Frequently Asked Questions

What is the IUPAC name of 3-(diacetylamino)propanoic acid?
The IUPAC name of 3-(diacetylamino)propanoic acid (CID 13408783) is 3-(diacetylamino)propanoic acid.
What is the SMILES notation for 3-(diacetylamino)propanoic acid?
The canonical SMILES for 3-(diacetylamino)propanoic acid is CC(=O)N(CCC(=O)O)C(C)=O.
What is the InChIKey of 3-(diacetylamino)propanoic acid?
The InChIKey is DQJLSWCGTPTWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO4/c1-5(9)8(6(2)10)4-3-7(11)12/h3-4H2,1-2H3,(H,11,12).
What are the key properties of 3-(diacetylamino)propanoic acid?
3-(diacetylamino)propanoic acid has a molecular weight of 173.17 g/mol, XLogP of -0.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diacetylamino)propanoic acid is sourced from PubChem (CID 13408783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).