azane;butanoic acid

C8H22N2O4 — CID 175057491

IUPACazane;butanoic acid
SMILESCCCC(=O)O.CCCC(=O)O.N.N
InChIInChI=1S/2C4H8O2.2H3N/c2*1-2-3-4(5)6;;/h2*2-3H2,1H3,(H,5,6);2*1H3
InChIKeyGHJRZRQDCZFJOZ-UHFFFAOYSA-N
MW210.27 g/mol
LogP2.07
Rot. Bonds4

About azane;butanoic acid

azane;butanoic acid (PubChem CID 175057491) has the molecular formula C8H22N2O4 and a molecular weight of 210.27 g/mol. Its IUPAC name is azane;butanoic acid.

Molecular Properties

Compound Nameazane;butanoic acid
PubChem CID175057491
Molecular FormulaC8H22N2O4
Molecular Weight210.27 g/mol
Exact Mass210.16
IUPAC Nameazane;butanoic acid
SMILESCCCC(=O)O.CCCC(=O)O.N.N
InChIInChI=1S/2C4H8O2.2H3N/c2*1-2-3-4(5)6;;/h2*2-3H2,1H3,(H,5,6);2*1H3
InChIKeyGHJRZRQDCZFJOZ-UHFFFAOYSA-N
XLogP2.07
TPSA144.60 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 52.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

azane;butanoic acid
CID 173280540
azane;butanoic acid;methanol;hydrate
CID 173179721
butanoic acid;heptahydrofluoride
CID 172757824
dialuminum;butanoic acid
CID 175897781
CID 87408506
CID 87408506
butanoic acid;copper
CID 57425269
butanoic acid;dihydrochloride
CID 173423767
butanoic acid;praseodymium
CID 88777452
CID 87208956
CID 87208956
butanoic acid;zirconium
CID 87090666
butanoic acid;mercury
CID 87059277
CID 88693438
CID 88693438

Frequently Asked Questions

What is the IUPAC name of azane;butanoic acid?
The IUPAC name of azane;butanoic acid (CID 175057491) is azane;butanoic acid.
What is the SMILES notation for azane;butanoic acid?
The canonical SMILES for azane;butanoic acid is CCCC(=O)O.CCCC(=O)O.N.N.
What is the InChIKey of azane;butanoic acid?
The InChIKey is GHJRZRQDCZFJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H8O2.2H3N/c2*1-2-3-4(5)6;;/h2*2-3H2,1H3,(H,5,6);2*1H3.
What are the key properties of azane;butanoic acid?
azane;butanoic acid has a molecular weight of 210.27 g/mol, XLogP of 2.07, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;butanoic acid is sourced from PubChem (CID 175057491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).