azane;butanoic acid

C16H35NO8 — CID 173280540

IUPACazane;butanoic acid
SMILESCCCC(=O)O.CCCC(=O)O.CCCC(=O)O.CCCC(=O)O.N
InChIInChI=1S/4C4H8O2.H3N/c4*1-2-3-4(5)6;/h4*2-3H2,1H3,(H,5,6);1H3
InChIKeyOXODMZVGORQZJF-UHFFFAOYSA-N
MW369.46 g/mol
LogP3.65
Rot. Bonds8

About azane;butanoic acid

azane;butanoic acid (PubChem CID 173280540) has the molecular formula C16H35NO8 and a molecular weight of 369.46 g/mol. Its IUPAC name is azane;butanoic acid.

Molecular Properties

Compound Nameazane;butanoic acid
PubChem CID173280540
Molecular FormulaC16H35NO8
Molecular Weight369.46 g/mol
Exact Mass369.24
IUPAC Nameazane;butanoic acid
SMILESCCCC(=O)O.CCCC(=O)O.CCCC(=O)O.CCCC(=O)O.N
InChIInChI=1S/4C4H8O2.H3N/c4*1-2-3-4(5)6;/h4*2-3H2,1H3,(H,5,6);1H3
InChIKeyOXODMZVGORQZJF-UHFFFAOYSA-N
XLogP3.65
TPSA184.20 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 53.65
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

azane;butanoic acid
CID 175057491
azane;butanoic acid;methanol;hydrate
CID 173179721
butanoic acid;zirconium
CID 87090666
butanoic acid;mercury
CID 87059277
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 88693438
CID 88693438
CID 87208956
CID 87208956

Frequently Asked Questions

What is the IUPAC name of azane;butanoic acid?
The IUPAC name of azane;butanoic acid (CID 173280540) 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.CCCC(=O)O.CCCC(=O)O.N.
What is the InChIKey of azane;butanoic acid?
The InChIKey is OXODMZVGORQZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/4C4H8O2.H3N/c4*1-2-3-4(5)6;/h4*2-3H2,1H3,(H,5,6);1H3.
What are the key properties of azane;butanoic acid?
azane;butanoic acid has a molecular weight of 369.46 g/mol, XLogP of 3.65, 8 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azane;butanoic acid is sourced from PubChem (CID 173280540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).