azane;butanoic acid;methanol;hydrate

C5H17NO4 — CID 173179721

IUPACazane;butanoic acid;methanol;hydrate
SMILESCCCC(=O)O.CO.N.O
InChIInChI=1S/C4H8O2.CH4O.H3N.H2O/c1-2-3-4(5)6;1-2;;/h2-3H2,1H3,(H,5,6);2H,1H3;1H3;1H2
InChIKeyJTALDXCIESAOEW-UHFFFAOYSA-N
MW155.19 g/mol
LogP-0.18
Rot. Bonds2

About azane;butanoic acid;methanol;hydrate

azane;butanoic acid;methanol;hydrate (PubChem CID 173179721) has the molecular formula C5H17NO4 and a molecular weight of 155.19 g/mol. Its IUPAC name is azane;butanoic acid;methanol;hydrate.

Molecular Properties

Compound Nameazane;butanoic acid;methanol;hydrate
PubChem CID173179721
Molecular FormulaC5H17NO4
Molecular Weight155.19 g/mol
Exact Mass155.12
IUPAC Nameazane;butanoic acid;methanol;hydrate
SMILESCCCC(=O)O.CO.N.O
InChIInChI=1S/C4H8O2.CH4O.H3N.H2O/c1-2-3-4(5)6;1-2;;/h2-3H2,1H3,(H,5,6);2H,1H3;1H3;1H2
InChIKeyJTALDXCIESAOEW-UHFFFAOYSA-N
XLogP-0.18
TPSA124.03 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.19
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 175057491
azane;butanoic acid
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CID 87208956
CID 87208956
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

Frequently Asked Questions

What is the IUPAC name of azane;butanoic acid;methanol;hydrate?
The IUPAC name of azane;butanoic acid;methanol;hydrate (CID 173179721) is azane;butanoic acid;methanol;hydrate.
What is the SMILES notation for azane;butanoic acid;methanol;hydrate?
The canonical SMILES for azane;butanoic acid;methanol;hydrate is CCCC(=O)O.CO.N.O.
What is the InChIKey of azane;butanoic acid;methanol;hydrate?
The InChIKey is JTALDXCIESAOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2.CH4O.H3N.H2O/c1-2-3-4(5)6;1-2;;/h2-3H2,1H3,(H,5,6);2H,1H3;1H3;1H2.
What are the key properties of azane;butanoic acid;methanol;hydrate?
azane;butanoic acid;methanol;hydrate has a molecular weight of 155.19 g/mol, XLogP of -0.18, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;butanoic acid;methanol;hydrate is sourced from PubChem (CID 173179721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).