azane;butanedioic acid;ethanol

C6H15NO5 — CID 87975822

IUPACazane;butanedioic acid;ethanol
SMILESCCO.N.O=C(O)CCC(=O)O
InChIInChI=1S/C4H6O4.C2H6O.H3N/c5-3(6)1-2-4(7)8;1-2-3;/h1-2H2,(H,5,6)(H,7,8);3H,2H2,1H3;1H3
InChIKeyNKLQDKYEZXZHCA-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.10
Rot. Bonds3

About azane;butanedioic acid;ethanol

azane;butanedioic acid;ethanol (PubChem CID 87975822) has the molecular formula C6H15NO5 and a molecular weight of 181.19 g/mol. Its IUPAC name is azane;butanedioic acid;ethanol.

Molecular Properties

Compound Nameazane;butanedioic acid;ethanol
PubChem CID87975822
Molecular FormulaC6H15NO5
Molecular Weight181.19 g/mol
Exact Mass181.10
IUPAC Nameazane;butanedioic acid;ethanol
SMILESCCO.N.O=C(O)CCC(=O)O
InChIInChI=1S/C4H6O4.C2H6O.H3N/c5-3(6)1-2-4(7)8;1-2-3;/h1-2H2,(H,5,6)(H,7,8);3H,2H2,1H3;1H3
InChIKeyNKLQDKYEZXZHCA-UHFFFAOYSA-N
XLogP0.10
TPSA129.83 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

azane;butanedioic acid;methanol
CID 131741728
azane;butanedioic acid
CID 87070561
butanedioic acid;ethanol;2-oxopropanoic acid
CID 159309447
butane;butanedioic acid
CID 158477539
azane;carbonic acid;ethanol
CID 173096974
azane;butanedioic acid;dihydrate
CID 141112137
azane;butanoic acid
CID 175057491
azane;butanoic acid
CID 173280540
3-bromopropanoic acid;ethanol
CID 159489892
trisodium;butanedioic acid
CID 175698490
butanedioic acid;hydrochloride
CID 87113713
bis(butanedioic acid);silane
CID 173419629

Frequently Asked Questions

What is the IUPAC name of azane;butanedioic acid;ethanol?
The IUPAC name of azane;butanedioic acid;ethanol (CID 87975822) is azane;butanedioic acid;ethanol.
What is the SMILES notation for azane;butanedioic acid;ethanol?
The canonical SMILES for azane;butanedioic acid;ethanol is CCO.N.O=C(O)CCC(=O)O.
What is the InChIKey of azane;butanedioic acid;ethanol?
The InChIKey is NKLQDKYEZXZHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O4.C2H6O.H3N/c5-3(6)1-2-4(7)8;1-2-3;/h1-2H2,(H,5,6)(H,7,8);3H,2H2,1H3;1H3.
What are the key properties of azane;butanedioic acid;ethanol?
azane;butanedioic acid;ethanol has a molecular weight of 181.19 g/mol, XLogP of 0.10, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;butanedioic acid;ethanol is sourced from PubChem (CID 87975822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).