2-(2-oxohydrazinyl)-5-phosphonopentanoic acid

C5H11N2O6P — CID 137407867

IUPAC2-(2-oxohydrazinyl)-5-phosphonopentanoic acid
SMILESO=NNC(CCCP(=O)(O)O)C(=O)O
InChIInChI=1S/C5H11N2O6P/c8-5(9)4(6-7-10)2-1-3-14(11,12)13/h4H,1-3H2,(H,6,10)(H,8,9)(H2,11,12,13)
InChIKeyQKMVJDWWPYBPNI-UHFFFAOYSA-N
MW226.12 g/mol
LogP-0.33
Rot. Bonds7

About 2-(2-oxohydrazinyl)-5-phosphonopentanoic acid

2-(2-oxohydrazinyl)-5-phosphonopentanoic acid (PubChem CID 137407867) has the molecular formula C5H11N2O6P and a molecular weight of 226.12 g/mol. Its IUPAC name is 2-(2-oxohydrazinyl)-5-phosphonopentanoic acid.

Molecular Properties

Compound Name2-(2-oxohydrazinyl)-5-phosphonopentanoic acid
PubChem CID137407867
Molecular FormulaC5H11N2O6P
Molecular Weight226.12 g/mol
Exact Mass226.04
IUPAC Name2-(2-oxohydrazinyl)-5-phosphonopentanoic acid
SMILESO=NNC(CCCP(=O)(O)O)C(=O)O
InChIInChI=1S/C5H11N2O6P/c8-5(9)4(6-7-10)2-1-3-14(11,12)13/h4H,1-3H2,(H,6,10)(H,8,9)(H2,11,12,13)
InChIKeyQKMVJDWWPYBPNI-UHFFFAOYSA-N
XLogP-0.33
TPSA136.29 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.12
LogP ≤ 5-0.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(2-oxohydrazinyl)-3-sulfanylpropanoic acid
CID 21157216
(2S)-2-(2-oxohydrazinyl)-3-sulfanylpropanoic acid;thionitrous S-acid
CID 87687859
2-(1-carboxypentylamino)hexanoic acid
CID 22643835
6-amino-2-(1-phosphonoprop-2-enylamino)hexanoic acid
CID 87476730
(2S)-6-amino-2-(phosphonomethylamino)hexanoic acid
CID 25153976
(2S)-2,6-bis(1-phosphonoprop-2-enylamino)hexanoic acid
CID 87493317
6-methyl-2-(methylamino)heptanoic acid
CID 91290146
(1-amino-4-phosphonobutyl)phosphonic acid
CID 11075308
(2S)-N-methyl-2,6-bis(2-oxohydrazinyl)hexanamide
CID 89114426
2-[(1-carboxy-3-hydroxypropyl)amino]-4-hydroxybutanoic acid
CID 155788210
(2S)-6-amino-2-(methylamino)-6-oxohexanoic acid
CID 177277672
5-amino-2-(methylamino)pentanoic acid;hydrochloride
CID 23216389

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxohydrazinyl)-5-phosphonopentanoic acid?
The IUPAC name of 2-(2-oxohydrazinyl)-5-phosphonopentanoic acid (CID 137407867) is 2-(2-oxohydrazinyl)-5-phosphonopentanoic acid.
What is the SMILES notation for 2-(2-oxohydrazinyl)-5-phosphonopentanoic acid?
The canonical SMILES for 2-(2-oxohydrazinyl)-5-phosphonopentanoic acid is O=NNC(CCCP(=O)(O)O)C(=O)O.
What is the InChIKey of 2-(2-oxohydrazinyl)-5-phosphonopentanoic acid?
The InChIKey is QKMVJDWWPYBPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N2O6P/c8-5(9)4(6-7-10)2-1-3-14(11,12)13/h4H,1-3H2,(H,6,10)(H,8,9)(H2,11,12,13).
What are the key properties of 2-(2-oxohydrazinyl)-5-phosphonopentanoic acid?
2-(2-oxohydrazinyl)-5-phosphonopentanoic acid has a molecular weight of 226.12 g/mol, XLogP of -0.33, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxohydrazinyl)-5-phosphonopentanoic acid is sourced from PubChem (CID 137407867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).