2,5-diaminopentan-2-ylphosphonic acid

C5H15N2O3P — CID 86124340

IUPAC2,5-diaminopentan-2-ylphosphonic acid
SMILESCC(N)(CCCN)P(=O)(O)O
InChIInChI=1S/C5H15N2O3P/c1-5(7,3-2-4-6)11(8,9)10/h2-4,6-7H2,1H3,(H2,8,9,10)
InChIKeyFENGMQNTDCWIMK-UHFFFAOYSA-N
MW182.16 g/mol
LogP-0.42
Rot. Bonds4

About 2,5-diaminopentan-2-ylphosphonic acid

2,5-diaminopentan-2-ylphosphonic acid (PubChem CID 86124340) has the molecular formula C5H15N2O3P and a molecular weight of 182.16 g/mol. Its IUPAC name is 2,5-diaminopentan-2-ylphosphonic acid.

Molecular Properties

Compound Name2,5-diaminopentan-2-ylphosphonic acid
PubChem CID86124340
Molecular FormulaC5H15N2O3P
Molecular Weight182.16 g/mol
Exact Mass182.08
IUPAC Name2,5-diaminopentan-2-ylphosphonic acid
SMILESCC(N)(CCCN)P(=O)(O)O
InChIInChI=1S/C5H15N2O3P/c1-5(7,3-2-4-6)11(8,9)10/h2-4,6-7H2,1H3,(H2,8,9,10)
InChIKeyFENGMQNTDCWIMK-UHFFFAOYSA-N
XLogP-0.42
TPSA109.57 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.16
LogP ≤ 5-0.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-amino-16-methylheptadecan-2-yl)phosphonic acid
CID 146558699
(2-amino-1-hydroxypropan-2-yl)phosphonic acid
CID 22262973
(2-amino-1-chloropropan-2-yl)phosphonic acid
CID 87518546
calcium;(4-amino-1-hydroxy-1-phosphonobutyl)phosphonic acid;hydride
CID 173126792
methylphosphonic acid;bis(4,4,4-trifluorobutan-1-amine)
CID 171929841
[(2S)-2-amino-4-methylpentan-2-yl]phosphonic acid
CID 7167688
disodium;(4-amino-1-hydroxy-1-phosphonobutyl)phosphonic acid;hydride
CID 172998840
(2-amino-4-methylpentan-2-yl)phosphonic acid;hydrate
CID 53393196
sodium;(4-amino-1-hydroxy-1-phosphonobutyl)phosphonic acid;hydride;hydrate
CID 173035382
5-N-(3-aminopropyl)-2,5-dimethylhexane-2,5-diamine;phosphoric acid
CID 54606896
potassium;sodium;(4-amino-1-hydroxy-1-phosphonobutyl)phosphonic acid;hydride;hydrate
CID 173273911
aminomethyl(tert-butyl)phosphinic acid
CID 14024293

Frequently Asked Questions

What is the IUPAC name of 2,5-diaminopentan-2-ylphosphonic acid?
The IUPAC name of 2,5-diaminopentan-2-ylphosphonic acid (CID 86124340) is 2,5-diaminopentan-2-ylphosphonic acid.
What is the SMILES notation for 2,5-diaminopentan-2-ylphosphonic acid?
The canonical SMILES for 2,5-diaminopentan-2-ylphosphonic acid is CC(N)(CCCN)P(=O)(O)O.
What is the InChIKey of 2,5-diaminopentan-2-ylphosphonic acid?
The InChIKey is FENGMQNTDCWIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H15N2O3P/c1-5(7,3-2-4-6)11(8,9)10/h2-4,6-7H2,1H3,(H2,8,9,10).
What are the key properties of 2,5-diaminopentan-2-ylphosphonic acid?
2,5-diaminopentan-2-ylphosphonic acid has a molecular weight of 182.16 g/mol, XLogP of -0.42, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diaminopentan-2-ylphosphonic acid is sourced from PubChem (CID 86124340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).