3,5-diaminopentane-1,1,2,2-tetrol

C5H14N2O4 — CID 54033004

IUPAC3,5-diaminopentane-1,1,2,2-tetrol
SMILESNCCC(N)C(O)(O)C(O)O
InChIInChI=1S/C5H14N2O4/c6-2-1-3(7)5(10,11)4(8)9/h3-4,8-11H,1-2,6-7H2
InChIKeyLGYFRUWRLMMHFF-UHFFFAOYSA-N
MW166.18 g/mol
LogP-3.35
Rot. Bonds4

About 3,5-diaminopentane-1,1,2,2-tetrol

3,5-diaminopentane-1,1,2,2-tetrol (PubChem CID 54033004) has the molecular formula C5H14N2O4 and a molecular weight of 166.18 g/mol. Its IUPAC name is 3,5-diaminopentane-1,1,2,2-tetrol.

Molecular Properties

Compound Name3,5-diaminopentane-1,1,2,2-tetrol
PubChem CID54033004
Molecular FormulaC5H14N2O4
Molecular Weight166.18 g/mol
Exact Mass166.10
IUPAC Name3,5-diaminopentane-1,1,2,2-tetrol
SMILESNCCC(N)C(O)(O)C(O)O
InChIInChI=1S/C5H14N2O4/c6-2-1-3(7)5(10,11)4(8)9/h3-4,8-11H,1-2,6-7H2
InChIKeyLGYFRUWRLMMHFF-UHFFFAOYSA-N
XLogP-3.35
TPSA132.96 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500166.18
LogP ≤ 5-3.35
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,5-diaminopentane-1,1,2,2-tetrol?
The IUPAC name of 3,5-diaminopentane-1,1,2,2-tetrol (CID 54033004) is 3,5-diaminopentane-1,1,2,2-tetrol.
What is the SMILES notation for 3,5-diaminopentane-1,1,2,2-tetrol?
The canonical SMILES for 3,5-diaminopentane-1,1,2,2-tetrol is NCCC(N)C(O)(O)C(O)O.
What is the InChIKey of 3,5-diaminopentane-1,1,2,2-tetrol?
The InChIKey is LGYFRUWRLMMHFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2O4/c6-2-1-3(7)5(10,11)4(8)9/h3-4,8-11H,1-2,6-7H2.
What are the key properties of 3,5-diaminopentane-1,1,2,2-tetrol?
3,5-diaminopentane-1,1,2,2-tetrol has a molecular weight of 166.18 g/mol, XLogP of -3.35, 4 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diaminopentane-1,1,2,2-tetrol is sourced from PubChem (CID 54033004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).