acetamide;butanedioic acid

C8H16N2O6 — CID 175267619

IUPACacetamide;butanedioic acid
SMILESCC(N)=O.CC(N)=O.O=C(O)CCC(=O)O
InChIInChI=1S/C4H6O4.2C2H5NO/c5-3(6)1-2-4(7)8;2*1-2(3)4/h1-2H2,(H,5,6)(H,7,8);2*1H3,(H2,3,4)
InChIKeyMRKOFPXUJLRMKB-UHFFFAOYSA-N
MW236.22 g/mol
LogP-1.08
Rot. Bonds3

About acetamide;butanedioic acid

acetamide;butanedioic acid (PubChem CID 175267619) has the molecular formula C8H16N2O6 and a molecular weight of 236.22 g/mol. Its IUPAC name is acetamide;butanedioic acid.

Molecular Properties

Compound Nameacetamide;butanedioic acid
PubChem CID175267619
Molecular FormulaC8H16N2O6
Molecular Weight236.22 g/mol
Exact Mass236.10
IUPAC Nameacetamide;butanedioic acid
SMILESCC(N)=O.CC(N)=O.O=C(O)CCC(=O)O
InChIInChI=1S/C4H6O4.2C2H5NO/c5-3(6)1-2-4(7)8;2*1-2(3)4/h1-2H2,(H,5,6)(H,7,8);2*1H3,(H2,3,4)
InChIKeyMRKOFPXUJLRMKB-UHFFFAOYSA-N
XLogP-1.08
TPSA160.78 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.22
LogP ≤ 5-1.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

acetamide;pentanedioic acid
CID 160895913
bis(butanedioic acid);hydroxylamine
CID 174855273
azane;butanedioic acid;methanol
CID 131741728
bis(butanedioic acid);carbonic acid
CID 159577506
bis(butanedioic acid);silane
CID 173419629
butanedioic acid;hydrochloride
CID 87113713
trisodium;butanedioic acid
CID 175698490
azane;butanedioic acid
CID 87070561
4-amino-4-oxobutanoic acid;molybdenum
CID 159348588
4-oxopentanoic acid;zinc
CID 87190982
acetamide
CID 139024037
butane;butanedioic acid
CID 158477539

Frequently Asked Questions

What is the IUPAC name of acetamide;butanedioic acid?
The IUPAC name of acetamide;butanedioic acid (CID 175267619) is acetamide;butanedioic acid.
What is the SMILES notation for acetamide;butanedioic acid?
The canonical SMILES for acetamide;butanedioic acid is CC(N)=O.CC(N)=O.O=C(O)CCC(=O)O.
What is the InChIKey of acetamide;butanedioic acid?
The InChIKey is MRKOFPXUJLRMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O4.2C2H5NO/c5-3(6)1-2-4(7)8;2*1-2(3)4/h1-2H2,(H,5,6)(H,7,8);2*1H3,(H2,3,4).
What are the key properties of acetamide;butanedioic acid?
acetamide;butanedioic acid has a molecular weight of 236.22 g/mol, XLogP of -1.08, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetamide;butanedioic acid is sourced from PubChem (CID 175267619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).