[4-[(2-hydrazinylacetyl)amino]-1-hydroxy-1-phosphonobutyl]phosphonic acid

C6H17N3O8P2 — CID 24768570

IUPAC[4-[(2-hydrazinylacetyl)amino]-1-hydroxy-1-phosphonobutyl]phosphonic acid
SMILESNNCC(=O)NCCCC(O)(P(=O)(O)O)P(=O)(O)O
InChIInChI=1S/C6H17N3O8P2/c7-9-4-5(10)8-3-1-2-6(11,18(12,13)14)19(15,16)17/h9,11H,1-4,7H2,(H,8,10)(H2,12,13,14)(H2,15,16,17)
InChIKeyALYCWFKNRZAIRZ-UHFFFAOYSA-N
MW321.16 g/mol
LogP-2.65
Rot. Bonds8

About [4-[(2-hydrazinylacetyl)amino]-1-hydroxy-1-phosphonobutyl]phosphonic acid

[4-[(2-hydrazinylacetyl)amino]-1-hydroxy-1-phosphonobutyl]phosphonic acid (PubChem CID 24768570) has the molecular formula C6H17N3O8P2 and a molecular weight of 321.16 g/mol. Its IUPAC name is [4-[(2-hydrazinylacetyl)amino]-1-hydroxy-1-phosphonobutyl]phosphonic acid.

Molecular Properties

Compound Name[4-[(2-hydrazinylacetyl)amino]-1-hydroxy-1-phosphonobutyl]phosphonic acid
PubChem CID24768570
Molecular FormulaC6H17N3O8P2
Molecular Weight321.16 g/mol
Exact Mass321.05
IUPAC Name[4-[(2-hydrazinylacetyl)amino]-1-hydroxy-1-phosphonobutyl]phosphonic acid
SMILESNNCC(=O)NCCCC(O)(P(=O)(O)O)P(=O)(O)O
InChIInChI=1S/C6H17N3O8P2/c7-9-4-5(10)8-3-1-2-6(11,18(12,13)14)19(15,16)17/h9,11H,1-4,7H2,(H,8,10)(H2,12,13,14)(H2,15,16,17)
InChIKeyALYCWFKNRZAIRZ-UHFFFAOYSA-N
XLogP-2.65
TPSA202.44 Ų
H-Bond Donors8
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.16
LogP ≤ 5-2.65
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[2-[(4-dimethylphosphoryl-4-hydroxy-4-phosphonobutyl)amino]-2-oxoethyl]carbamothioic S-acid
CID 123556396
[4-(dodecanoylamino)-1-hydroxy-1-phosphonobutyl]phosphonic acid
CID 53248987
(2S)-7-[(4-hydroxy-4,4-diphosphonobutyl)amino]-4,7-dioxo-2-propan-2-ylheptanoic acid
CID 161066265
[1-hydroxy-4-[(4-methylbenzoyl)amino]-1-phosphonobutyl]phosphonic acid
CID 174302024
calcium;(4-amino-1-hydroxy-1-phosphonobutyl)phosphonic acid;hydride
CID 173126792
[3,4-dicarbamoyl-6-[(4-hydroxy-4,4-diphosphonobutyl)amino]-1,6-dioxo-1-(phosphonoamino)-2-sulfanylhexan-3-yl]phosphonic acid
CID 87469930
[4-[[2-[4-[4-[bis(2-chloroethyl)amino]phenyl]butanoylamino]acetyl]amino]-1-hydroxy-1-phosphonobutyl]phosphonic acid
CID 19388860
disodium;(4-amino-1-hydroxy-1-phosphonobutyl)phosphonic acid;hydride
CID 172998840
[1-hydroxy-4-[4-[[2-oxo-2-(2-sulfanylethylamino)ethyl]-(2-sulfanylethyl)amino]butanoylamino]-1-phosphonobutyl]phosphonic acid;oxygen(2-);rhenium
CID 11983266
bis([1-hydroxy-1-[hydroxy(methyl)phosphoryl]-4-[(5-methyl-4-oxohexanoyl)amino]butyl]phosphonic acid);[1-hydroxy-1-[hydroxy(methyl)phosphoryl]-4-(2-methylpropanoylamino)butyl]phosphonic acid;methane
CID 161376609
sodium;(4-amino-1-hydroxy-1-phosphonobutyl)phosphonic acid;hydride;hydrate
CID 173035382
[1-hydroxy-4-(2-methylpropylamino)-1-phosphonobutyl]phosphonic acid
CID 162426140

Frequently Asked Questions

What is the IUPAC name of [4-[(2-hydrazinylacetyl)amino]-1-hydroxy-1-phosphonobutyl]phosphonic acid?
The IUPAC name of [4-[(2-hydrazinylacetyl)amino]-1-hydroxy-1-phosphonobutyl]phosphonic acid (CID 24768570) is [4-[(2-hydrazinylacetyl)amino]-1-hydroxy-1-phosphonobutyl]phosphonic acid.
What is the SMILES notation for [4-[(2-hydrazinylacetyl)amino]-1-hydroxy-1-phosphonobutyl]phosphonic acid?
The canonical SMILES for [4-[(2-hydrazinylacetyl)amino]-1-hydroxy-1-phosphonobutyl]phosphonic acid is NNCC(=O)NCCCC(O)(P(=O)(O)O)P(=O)(O)O.
What is the InChIKey of [4-[(2-hydrazinylacetyl)amino]-1-hydroxy-1-phosphonobutyl]phosphonic acid?
The InChIKey is ALYCWFKNRZAIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H17N3O8P2/c7-9-4-5(10)8-3-1-2-6(11,18(12,13)14)19(15,16)17/h9,11H,1-4,7H2,(H,8,10)(H2,12,13,14)(H2,15,16,17).
What are the key properties of [4-[(2-hydrazinylacetyl)amino]-1-hydroxy-1-phosphonobutyl]phosphonic acid?
[4-[(2-hydrazinylacetyl)amino]-1-hydroxy-1-phosphonobutyl]phosphonic acid has a molecular weight of 321.16 g/mol, XLogP of -2.65, 8 rotatable bonds, 8 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-hydrazinylacetyl)amino]-1-hydroxy-1-phosphonobutyl]phosphonic acid is sourced from PubChem (CID 24768570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).