acetamide;2-acetamidoacetic acid;acetic acid

C8H16N2O6 — CID 172851562

IUPACacetamide;2-acetamidoacetic acid;acetic acid
SMILESCC(=O)NCC(=O)O.CC(=O)O.CC(N)=O
InChIInChI=1S/C4H7NO3.C2H5NO.C2H4O2/c1-3(6)5-2-4(7)8;2*1-2(3)4/h2H2,1H3,(H,5,6)(H,7,8);1H3,(H2,3,4);1H3,(H,3,4)
InChIKeyYDGMNVOTKDNKIT-UHFFFAOYSA-N
MW236.22 g/mol
LogP-1.21
Rot. Bonds2

About acetamide;2-acetamidoacetic acid;acetic acid

acetamide;2-acetamidoacetic acid;acetic acid (PubChem CID 172851562) has the molecular formula C8H16N2O6 and a molecular weight of 236.22 g/mol. Its IUPAC name is acetamide;2-acetamidoacetic acid;acetic acid.

Molecular Properties

Compound Nameacetamide;2-acetamidoacetic acid;acetic acid
PubChem CID172851562
Molecular FormulaC8H16N2O6
Molecular Weight236.22 g/mol
Exact Mass236.10
IUPAC Nameacetamide;2-acetamidoacetic acid;acetic acid
SMILESCC(=O)NCC(=O)O.CC(=O)O.CC(N)=O
InChIInChI=1S/C4H7NO3.C2H5NO.C2H4O2/c1-3(6)5-2-4(7)8;2*1-2(3)4/h2H2,1H3,(H,5,6)(H,7,8);1H3,(H2,3,4);1H3,(H,3,4)
InChIKeyYDGMNVOTKDNKIT-UHFFFAOYSA-N
XLogP-1.21
TPSA146.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.22
LogP ≤ 5-1.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze acetamide;2-acetamidoacetic acid;acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis(2-acetamidoacetic acid);copper;trihydrate
CID 57404078
2-acetamidoacetic acid;dihydroxy(oxo)phosphanium
CID 87990829
2-(carbamoylamino)acetic acid
CID 87288569
2-acetamidoacetic acid;octanoic acid
CID 174885803
2-acetamidoacetic acid;1,2,3-trimethylbenzene
CID 67885063
2-(oxamoylamino)acetic acid
CID 55281663
ethane;2-(2-oxopropanoylamino)acetic acid
CID 143031622
2-acetamidoacetamide;methylaminomethanol
CID 143571891
2-aminoacetic acid;2-(ethanethioylamino)acetic acid
CID 174585763
carbamothioic S-acid;2-(sulfanylcarbonylamino)acetic acid
CID 88510023
2-[(1-acetamidocyclopropanecarbonyl)amino]acetic acid
CID 167721509
acetamide;butanedioic acid
CID 175267619

Frequently Asked Questions

What is the IUPAC name of acetamide;2-acetamidoacetic acid;acetic acid?
The IUPAC name of acetamide;2-acetamidoacetic acid;acetic acid (CID 172851562) is acetamide;2-acetamidoacetic acid;acetic acid.
What is the SMILES notation for acetamide;2-acetamidoacetic acid;acetic acid?
The canonical SMILES for acetamide;2-acetamidoacetic acid;acetic acid is CC(=O)NCC(=O)O.CC(=O)O.CC(N)=O.
What is the InChIKey of acetamide;2-acetamidoacetic acid;acetic acid?
The InChIKey is YDGMNVOTKDNKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO3.C2H5NO.C2H4O2/c1-3(6)5-2-4(7)8;2*1-2(3)4/h2H2,1H3,(H,5,6)(H,7,8);1H3,(H2,3,4);1H3,(H,3,4).
What are the key properties of acetamide;2-acetamidoacetic acid;acetic acid?
acetamide;2-acetamidoacetic acid;acetic acid has a molecular weight of 236.22 g/mol, XLogP of -1.21, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetamide;2-acetamidoacetic acid;acetic acid is sourced from PubChem (CID 172851562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).