2-(diacetylamino)acetic acid

C6H9NO4 — CID 14926475

IUPAC2-(diacetylamino)acetic acid
SMILESCC(=O)N(CC(=O)O)C(C)=O
InChIInChI=1S/C6H9NO4/c1-4(8)7(5(2)9)3-6(10)11/h3H2,1-2H3,(H,10,11)
InChIKeyNSXXONHQLIBTAZ-UHFFFAOYSA-N
MW159.14 g/mol
LogP-0.53
Rot. Bonds2

About 2-(diacetylamino)acetic acid

2-(diacetylamino)acetic acid (PubChem CID 14926475) has the molecular formula C6H9NO4 and a molecular weight of 159.14 g/mol. Its IUPAC name is 2-(diacetylamino)acetic acid.

Molecular Properties

Compound Name2-(diacetylamino)acetic acid
PubChem CID14926475
Molecular FormulaC6H9NO4
Molecular Weight159.14 g/mol
Exact Mass159.05
IUPAC Name2-(diacetylamino)acetic acid
SMILESCC(=O)N(CC(=O)O)C(C)=O
InChIInChI=1S/C6H9NO4/c1-4(8)7(5(2)9)3-6(10)11/h3H2,1-2H3,(H,10,11)
InChIKeyNSXXONHQLIBTAZ-UHFFFAOYSA-N
XLogP-0.53
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.14
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyliminodiacetic acid
CID 20441
(Diethylamino)(oxo)acetic acid
CID 4180752
N-Acetyl-N-methylglycine
CID 10975514
2-[Carboxymethyl(ethyl)amino]acetic acid
CID 219585
2-[(Methoxycarbonyl)(methyl)amino]acetic acid
CID 14346035
Glycine, N-(carboxycarbonyl)-N-methyl-
CID 14985601
methanaminium, 1-carboxy-n-(carboxymethyl)-n,n-dimethyl-, inner salt
CID 15803486
N-formyliminodiacetic acid
CID 191974
N-acetyliminodiacetic acid
CID 10130190
N-oxaloylglycine
CID 10307860
(4-Methyl-3,5-dioxopiperazin-1-YL)acetic acid
CID 10679103
2-[N-(propan-2-yl)acetamido]acetic acid
CID 13930744

Frequently Asked Questions

What is the IUPAC name of 2-(diacetylamino)acetic acid?
The IUPAC name of 2-(diacetylamino)acetic acid (CID 14926475) is 2-(diacetylamino)acetic acid.
What is the SMILES notation for 2-(diacetylamino)acetic acid?
The canonical SMILES for 2-(diacetylamino)acetic acid is CC(=O)N(CC(=O)O)C(C)=O.
What is the InChIKey of 2-(diacetylamino)acetic acid?
The InChIKey is NSXXONHQLIBTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO4/c1-4(8)7(5(2)9)3-6(10)11/h3H2,1-2H3,(H,10,11).
What are the key properties of 2-(diacetylamino)acetic acid?
2-(diacetylamino)acetic acid has a molecular weight of 159.14 g/mol, XLogP of -0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diacetylamino)acetic acid is sourced from PubChem (CID 14926475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).