butanedioic acid;cyclobutane

C8H14O4 — CID 157277656

IUPACbutanedioic acid;cyclobutane
SMILESC1CCC1.O=C(O)CCC(=O)O
InChIInChI=1S/C4H6O4.C4H8/c5-3(6)1-2-4(7)8;1-2-4-3-1/h1-2H2,(H,5,6)(H,7,8);1-4H2
InChIKeyAZHGJQSAYRNLKY-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.50
Rot. Bonds3

About butanedioic acid;cyclobutane

butanedioic acid;cyclobutane (PubChem CID 157277656) has the molecular formula C8H14O4 and a molecular weight of 174.20 g/mol. Its IUPAC name is butanedioic acid;cyclobutane.

Molecular Properties

Compound Namebutanedioic acid;cyclobutane
PubChem CID157277656
Molecular FormulaC8H14O4
Molecular Weight174.20 g/mol
Exact Mass174.09
IUPAC Namebutanedioic acid;cyclobutane
SMILESC1CCC1.O=C(O)CCC(=O)O
InChIInChI=1S/C4H6O4.C4H8/c5-3(6)1-2-4(7)8;1-2-4-3-1/h1-2H2,(H,5,6)(H,7,8);1-4H2
InChIKeyAZHGJQSAYRNLKY-UHFFFAOYSA-N
XLogP1.50
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze butanedioic acid;cyclobutane 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(butanedioic acid);carbonic acid
CID 159577506
butanedioic acid;hydrochloride
CID 87113713
bis(butanedioic acid);silane
CID 173419629
trisodium;butanedioic acid
CID 175698490
azane;butanedioic acid
CID 87070561
butanedioic acid;oxolane
CID 70210247
bis(butanedioic acid);hydroxylamine
CID 174855273
azane;butanedioic acid;dihydrate
CID 141112137
butanedioic acid;ethene
CID 87532899
butanedioic acid;zinc;dihydrate
CID 175420905
butanedioic acid;zinc;dihydrate
CID 175091968
butanedioic acid;difluoromethane
CID 159584710

Frequently Asked Questions

What is the IUPAC name of butanedioic acid;cyclobutane?
The IUPAC name of butanedioic acid;cyclobutane (CID 157277656) is butanedioic acid;cyclobutane.
What is the SMILES notation for butanedioic acid;cyclobutane?
The canonical SMILES for butanedioic acid;cyclobutane is C1CCC1.O=C(O)CCC(=O)O.
What is the InChIKey of butanedioic acid;cyclobutane?
The InChIKey is AZHGJQSAYRNLKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O4.C4H8/c5-3(6)1-2-4(7)8;1-2-4-3-1/h1-2H2,(H,5,6)(H,7,8);1-4H2.
What are the key properties of butanedioic acid;cyclobutane?
butanedioic acid;cyclobutane has a molecular weight of 174.20 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butanedioic acid;cyclobutane is sourced from PubChem (CID 157277656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).