azetidin-3-ol;butanedioic acid

C7H13NO5 — CID 175438233

IUPACazetidin-3-ol;butanedioic acid
SMILESO=C(O)CCC(=O)O.OC1CNC1
InChIInChI=1S/C4H6O4.C3H7NO/c5-3(6)1-2-4(7)8;5-3-1-4-2-3/h1-2H2,(H,5,6)(H,7,8);3-5H,1-2H2
InChIKeyBXJQKHGXTOQZBQ-UHFFFAOYSA-N
MW191.18 g/mol
LogP-1.11
Rot. Bonds3

About azetidin-3-ol;butanedioic acid

azetidin-3-ol;butanedioic acid (PubChem CID 175438233) has the molecular formula C7H13NO5 and a molecular weight of 191.18 g/mol. Its IUPAC name is azetidin-3-ol;butanedioic acid.

Molecular Properties

Compound Nameazetidin-3-ol;butanedioic acid
PubChem CID175438233
Molecular FormulaC7H13NO5
Molecular Weight191.18 g/mol
Exact Mass191.08
IUPAC Nameazetidin-3-ol;butanedioic acid
SMILESO=C(O)CCC(=O)O.OC1CNC1
InChIInChI=1S/C4H6O4.C3H7NO/c5-3(6)1-2-4(7)8;5-3-1-4-2-3/h1-2H2,(H,5,6)(H,7,8);3-5H,1-2H2
InChIKeyBXJQKHGXTOQZBQ-UHFFFAOYSA-N
XLogP-1.11
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.18
LogP ≤ 5-1.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

azetidin-3-ol;hydrobromide
CID 142777193
butanedioic acid;cyclobutane
CID 157277656
2-aminoacetic acid;pyrrolidin-3-ol
CID 161124906
butanedioic acid;hydrochloride
CID 87113713
bis(butanedioic acid);silane
CID 173419629
trisodium;butanedioic acid
CID 175698490
bis(butanedioic acid);carbonic acid
CID 159577506
azane;butanedioic acid
CID 87070561
butanedioic acid;ethene
CID 87532899
azane;butanedioic acid;dihydrate
CID 141112137
bis(butanedioic acid);hydroxylamine
CID 174855273
butanedioic acid;zinc;dihydrate
CID 175420905

Frequently Asked Questions

What is the IUPAC name of azetidin-3-ol;butanedioic acid?
The IUPAC name of azetidin-3-ol;butanedioic acid (CID 175438233) is azetidin-3-ol;butanedioic acid.
What is the SMILES notation for azetidin-3-ol;butanedioic acid?
The canonical SMILES for azetidin-3-ol;butanedioic acid is O=C(O)CCC(=O)O.OC1CNC1.
What is the InChIKey of azetidin-3-ol;butanedioic acid?
The InChIKey is BXJQKHGXTOQZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O4.C3H7NO/c5-3(6)1-2-4(7)8;5-3-1-4-2-3/h1-2H2,(H,5,6)(H,7,8);3-5H,1-2H2.
What are the key properties of azetidin-3-ol;butanedioic acid?
azetidin-3-ol;butanedioic acid has a molecular weight of 191.18 g/mol, XLogP of -1.11, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-3-ol;butanedioic acid is sourced from PubChem (CID 175438233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).