2-[[2-(diacetylamino)acetyl]amino]acetic acid

C8H12N2O5 — CID 87300850

IUPAC2-[[2-(diacetylamino)acetyl]amino]acetic acid
SMILESCC(=O)N(CC(=O)NCC(=O)O)C(C)=O
InChIInChI=1S/C8H12N2O5/c1-5(11)10(6(2)12)4-7(13)9-3-8(14)15/h3-4H2,1-2H3,(H,9,13)(H,14,15)
InChIKeyKXILKWJPLPLGTJ-UHFFFAOYSA-N
MW216.19 g/mol
LogP-1.42
Rot. Bonds4

About 2-[[2-(diacetylamino)acetyl]amino]acetic acid

2-[[2-(diacetylamino)acetyl]amino]acetic acid (PubChem CID 87300850) has the molecular formula C8H12N2O5 and a molecular weight of 216.19 g/mol. Its IUPAC name is 2-[[2-(diacetylamino)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(diacetylamino)acetyl]amino]acetic acid
PubChem CID87300850
Molecular FormulaC8H12N2O5
Molecular Weight216.19 g/mol
Exact Mass216.07
IUPAC Name2-[[2-(diacetylamino)acetyl]amino]acetic acid
SMILESCC(=O)N(CC(=O)NCC(=O)O)C(C)=O
InChIInChI=1S/C8H12N2O5/c1-5(11)10(6(2)12)4-7(13)9-3-8(14)15/h3-4H2,1-2H3,(H,9,13)(H,14,15)
InChIKeyKXILKWJPLPLGTJ-UHFFFAOYSA-N
XLogP-1.42
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.19
LogP ≤ 5-1.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-[[2-[[2-[bis(carboxymethyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid
CID 23422762
2-[[2-[[2-[bis(carboxymethyl)amino]acetyl]amino]acetyl]amino]acetic acid
CID 23422761
2-[[2-(2,2-dimethylbutanoylamino)acetyl]amino]acetic acid
CID 62677817
2-[[2-[cyclohexyl(methyl)amino]acetyl]amino]acetic acid
CID 39258593
2-[(3-acetylsulfanyl-3-methylbutanoyl)amino]acetic acid
CID 54424453
2-[2-[bis(carboxymethyl)amino]ethyl-[2-oxo-2-(2-oxopropylamino)ethyl]amino]acetic acid;iron(2+)
CID 59081063
bis(2-acetamidoacetic acid);copper;trihydrate
CID 57404078
ethane;2-(2-oxopropanoylamino)acetic acid
CID 143031622
2-[[2-(hydroxyamino)acetyl]amino]acetic acid
CID 118448410
2-(3-deuteriopropanoylamino)acetic acid
CID 170555172
2-methylpropane;2-(propanoylamino)acetic acid
CID 144657860
2-[(2-tert-butylsulfonylacetyl)amino]acetic acid
CID 120513598

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(diacetylamino)acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-(diacetylamino)acetyl]amino]acetic acid (CID 87300850) is 2-[[2-(diacetylamino)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-(diacetylamino)acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-(diacetylamino)acetyl]amino]acetic acid is CC(=O)N(CC(=O)NCC(=O)O)C(C)=O.
What is the InChIKey of 2-[[2-(diacetylamino)acetyl]amino]acetic acid?
The InChIKey is KXILKWJPLPLGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O5/c1-5(11)10(6(2)12)4-7(13)9-3-8(14)15/h3-4H2,1-2H3,(H,9,13)(H,14,15).
What are the key properties of 2-[[2-(diacetylamino)acetyl]amino]acetic acid?
2-[[2-(diacetylamino)acetyl]amino]acetic acid has a molecular weight of 216.19 g/mol, XLogP of -1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(diacetylamino)acetyl]amino]acetic acid is sourced from PubChem (CID 87300850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).