azane;butanedioic acid;methanol

C5H13NO5 — CID 131741728

IUPACazane;butanedioic acid;methanol
SMILESCO.N.O=C(O)CCC(=O)O
InChIInChI=1S/C4H6O4.CH4O.H3N/c5-3(6)1-2-4(7)8;1-2;/h1-2H2,(H,5,6)(H,7,8);2H,1H3;1H3
InChIKeyTYWWGTQYOGSOBX-UHFFFAOYSA-N
MW167.16 g/mol
LogP-0.29
Rot. Bonds3

About azane;butanedioic acid;methanol

azane;butanedioic acid;methanol (PubChem CID 131741728) has the molecular formula C5H13NO5 and a molecular weight of 167.16 g/mol. Its IUPAC name is azane;butanedioic acid;methanol.

Molecular Properties

Compound Nameazane;butanedioic acid;methanol
PubChem CID131741728
Molecular FormulaC5H13NO5
Molecular Weight167.16 g/mol
Exact Mass167.08
IUPAC Nameazane;butanedioic acid;methanol
SMILESCO.N.O=C(O)CCC(=O)O
InChIInChI=1S/C4H6O4.CH4O.H3N/c5-3(6)1-2-4(7)8;1-2;/h1-2H2,(H,5,6)(H,7,8);2H,1H3;1H3
InChIKeyTYWWGTQYOGSOBX-UHFFFAOYSA-N
XLogP-0.29
TPSA129.83 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.16
LogP ≤ 5-0.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

azane;butanedioic acid
CID 87070561
azane;butanedioic acid;dihydrate
CID 141112137
azane;butanedioic acid;ethanol
CID 87975822
bis(butanedioic acid);silane
CID 173419629
butanedioic acid;hydrochloride
CID 87113713
trisodium;butanedioic acid
CID 175698490
bis(butanedioic acid);carbonic acid
CID 159577506
butane;butanedioic acid
CID 158477539
azane;butanoic acid;methanol;hydrate
CID 173179721
butanedioic acid;ethene
CID 87532899
bis(butanedioic acid);hydroxylamine
CID 174855273
butanedioic acid;zinc;dihydrate
CID 175420905

Frequently Asked Questions

What is the IUPAC name of azane;butanedioic acid;methanol?
The IUPAC name of azane;butanedioic acid;methanol (CID 131741728) is azane;butanedioic acid;methanol.
What is the SMILES notation for azane;butanedioic acid;methanol?
The canonical SMILES for azane;butanedioic acid;methanol is CO.N.O=C(O)CCC(=O)O.
What is the InChIKey of azane;butanedioic acid;methanol?
The InChIKey is TYWWGTQYOGSOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O4.CH4O.H3N/c5-3(6)1-2-4(7)8;1-2;/h1-2H2,(H,5,6)(H,7,8);2H,1H3;1H3.
What are the key properties of azane;butanedioic acid;methanol?
azane;butanedioic acid;methanol has a molecular weight of 167.16 g/mol, XLogP of -0.29, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;butanedioic acid;methanol is sourced from PubChem (CID 131741728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).