butanedioic acid

C4H6O4 — CID 1110

💊View drug profile → succinic acid
IUPACbutanedioic acid
SMILESO=C(O)CCC(=O)O
InChIInChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)
InChIKeyKDYFGRWQOYBRFD-UHFFFAOYSA-N
MW118.09 g/mol
LogP-0.06
Rot. Bonds3

About butanedioic acid

butanedioic acid (PubChem CID 1110) has the molecular formula C4H6O4 and a molecular weight of 118.09 g/mol. Its IUPAC name is butanedioic acid.

Molecular Properties

Compound Namebutanedioic acid
PubChem CID1110
Molecular FormulaC4H6O4
Molecular Weight118.09 g/mol
Exact Mass118.03
IUPAC Namebutanedioic acid
SMILESO=C(O)CCC(=O)O
InChIInChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)
InChIKeyKDYFGRWQOYBRFD-UHFFFAOYSA-N
XLogP-0.06
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.09
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Succinate
CID 160419
monoMethyl succinate
CID 77487
Cobaltous succinate
CID 18633
Monosodium succinate
CID 23690498
Cadmium succinate
CID 8828
CID 21952380
CID 21952380
Hydron;4-hydroxy-4-oxobutanoate
CID 173239856
Butanedioic acid, calcium salt (1:1)
CID 159605
Succinoyl peroxide
CID 31248
Ferrous succinate
CID 10464762
Succinic acid-2,2,3,3-d4
CID 12998487
Magnesium succinate
CID 10219480

Frequently Asked Questions

What is the IUPAC name of butanedioic acid?
The IUPAC name of butanedioic acid (CID 1110) is butanedioic acid.
What is the SMILES notation for butanedioic acid?
The canonical SMILES for butanedioic acid is O=C(O)CCC(=O)O.
What is the InChIKey of butanedioic acid?
The InChIKey is KDYFGRWQOYBRFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8).
What are the key properties of butanedioic acid?
butanedioic acid has a molecular weight of 118.09 g/mol, XLogP of -0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butanedioic acid is sourced from PubChem (CID 1110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).