2,5-diamino-1-hydroxypentan-3-one;sulfuric acid

C5H14N2O6S — CID 23506663

IUPAC2,5-diamino-1-hydroxypentan-3-one;sulfuric acid
SMILESNCCC(=O)C(N)CO.O=S(=O)(O)O
InChIInChI=1S/C5H12N2O2.H2O4S/c6-2-1-5(9)4(7)3-8;1-5(2,3)4/h4,8H,1-3,6-7H2;(H2,1,2,3,4)
InChIKeyLGRLZPAYEMLQKX-UHFFFAOYSA-N
MW230.24 g/mol
LogP-2.43
Rot. Bonds4

About 2,5-diamino-1-hydroxypentan-3-one;sulfuric acid

2,5-diamino-1-hydroxypentan-3-one;sulfuric acid (PubChem CID 23506663) has the molecular formula C5H14N2O6S and a molecular weight of 230.24 g/mol. Its IUPAC name is 2,5-diamino-1-hydroxypentan-3-one;sulfuric acid.

Molecular Properties

Compound Name2,5-diamino-1-hydroxypentan-3-one;sulfuric acid
PubChem CID23506663
Molecular FormulaC5H14N2O6S
Molecular Weight230.24 g/mol
Exact Mass230.06
IUPAC Name2,5-diamino-1-hydroxypentan-3-one;sulfuric acid
SMILESNCCC(=O)C(N)CO.O=S(=O)(O)O
InChIInChI=1S/C5H12N2O2.H2O4S/c6-2-1-5(9)4(7)3-8;1-5(2,3)4/h4,8H,1-3,6-7H2;(H2,1,2,3,4)
InChIKeyLGRLZPAYEMLQKX-UHFFFAOYSA-N
XLogP-2.43
TPSA163.94 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.24
LogP ≤ 5-2.43
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

(3R)-3-amino-4-hydroxy-1-sulfanylbutan-2-one
CID 174592431
(2R)-2-amino-1-hydroxypentan-3-one
CID 146364996
2-amino-1-hydroxyoctadecan-3-one
CID 631
(2R)-2-amino-1-hydroxyoctadecan-3-one;hydrochloride
CID 56846070
3,6-diamino-N-(2-aminoethyl)-4-oxohexanamide
CID 144787954
2-amino-1-hydroxy-6-methoxyhexan-3-one;methane
CID 162214807
bis((2S)-4-aminobutane-1,2-diol);sulfuric acid
CID 71422701
2-amino-1-hydroxy-5-methylhexan-3-one
CID 116920589
azane;ethane-1,2-diamine;sulfuric acid
CID 175425988
(2S)-2,5-diaminopentanoic acid;sulfuric acid;hydrate
CID 175762973
bis((2S)-2,5-diaminopentanoic acid);sulfuric acid;hydrate
CID 131850163
(2S)-2-amino-3-hydroxy(1,2,3-13C3)propanoic acid
CID 71309922

Frequently Asked Questions

What is the IUPAC name of 2,5-diamino-1-hydroxypentan-3-one;sulfuric acid?
The IUPAC name of 2,5-diamino-1-hydroxypentan-3-one;sulfuric acid (CID 23506663) is 2,5-diamino-1-hydroxypentan-3-one;sulfuric acid.
What is the SMILES notation for 2,5-diamino-1-hydroxypentan-3-one;sulfuric acid?
The canonical SMILES for 2,5-diamino-1-hydroxypentan-3-one;sulfuric acid is NCCC(=O)C(N)CO.O=S(=O)(O)O.
What is the InChIKey of 2,5-diamino-1-hydroxypentan-3-one;sulfuric acid?
The InChIKey is LGRLZPAYEMLQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O2.H2O4S/c6-2-1-5(9)4(7)3-8;1-5(2,3)4/h4,8H,1-3,6-7H2;(H2,1,2,3,4).
What are the key properties of 2,5-diamino-1-hydroxypentan-3-one;sulfuric acid?
2,5-diamino-1-hydroxypentan-3-one;sulfuric acid has a molecular weight of 230.24 g/mol, XLogP of -2.43, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diamino-1-hydroxypentan-3-one;sulfuric acid is sourced from PubChem (CID 23506663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).