[[[2-(hydroxyamino)-2-oxoethyl]-methylamino]-pyridin-3-ylmethyl]phosphonic acid

C9H14N3O5P — CID 142100270

IUPAC[[[2-(hydroxyamino)-2-oxoethyl]-methylamino]-pyridin-3-ylmethyl]phosphonic acid
SMILESCN(CC(=O)NO)C(c1cccnc1)P(=O)(O)O
InChIInChI=1S/C9H14N3O5P/c1-12(6-8(13)11-14)9(18(15,16)17)7-3-2-4-10-5-7/h2-5,9,14H,6H2,1H3,(H,11,13)(H2,15,16,17)
InChIKeyGDRRCKMPQPSJFH-UHFFFAOYSA-N
MW275.20 g/mol
LogP-0.30
Rot. Bonds5

About [[[2-(hydroxyamino)-2-oxoethyl]-methylamino]-pyridin-3-ylmethyl]phosphonic acid

[[[2-(hydroxyamino)-2-oxoethyl]-methylamino]-pyridin-3-ylmethyl]phosphonic acid (PubChem CID 142100270) has the molecular formula C9H14N3O5P and a molecular weight of 275.20 g/mol. Its IUPAC name is [[[2-(hydroxyamino)-2-oxoethyl]-methylamino]-pyridin-3-ylmethyl]phosphonic acid.

Molecular Properties

Compound Name[[[2-(hydroxyamino)-2-oxoethyl]-methylamino]-pyridin-3-ylmethyl]phosphonic acid
PubChem CID142100270
Molecular FormulaC9H14N3O5P
Molecular Weight275.20 g/mol
Exact Mass275.07
IUPAC Name[[[2-(hydroxyamino)-2-oxoethyl]-methylamino]-pyridin-3-ylmethyl]phosphonic acid
SMILESCN(CC(=O)NO)C(c1cccnc1)P(=O)(O)O
InChIInChI=1S/C9H14N3O5P/c1-12(6-8(13)11-14)9(18(15,16)17)7-3-2-4-10-5-7/h2-5,9,14H,6H2,1H3,(H,11,13)(H2,15,16,17)
InChIKeyGDRRCKMPQPSJFH-UHFFFAOYSA-N
XLogP-0.30
TPSA122.99 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.20
LogP ≤ 5-0.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [[[2-(hydroxyamino)-2-oxoethyl]-methylamino]-pyridin-3-ylmethyl]phosphonic acid?
The IUPAC name of [[[2-(hydroxyamino)-2-oxoethyl]-methylamino]-pyridin-3-ylmethyl]phosphonic acid (CID 142100270) is [[[2-(hydroxyamino)-2-oxoethyl]-methylamino]-pyridin-3-ylmethyl]phosphonic acid.
What is the SMILES notation for [[[2-(hydroxyamino)-2-oxoethyl]-methylamino]-pyridin-3-ylmethyl]phosphonic acid?
The canonical SMILES for [[[2-(hydroxyamino)-2-oxoethyl]-methylamino]-pyridin-3-ylmethyl]phosphonic acid is CN(CC(=O)NO)C(c1cccnc1)P(=O)(O)O.
What is the InChIKey of [[[2-(hydroxyamino)-2-oxoethyl]-methylamino]-pyridin-3-ylmethyl]phosphonic acid?
The InChIKey is GDRRCKMPQPSJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N3O5P/c1-12(6-8(13)11-14)9(18(15,16)17)7-3-2-4-10-5-7/h2-5,9,14H,6H2,1H3,(H,11,13)(H2,15,16,17).
What are the key properties of [[[2-(hydroxyamino)-2-oxoethyl]-methylamino]-pyridin-3-ylmethyl]phosphonic acid?
[[[2-(hydroxyamino)-2-oxoethyl]-methylamino]-pyridin-3-ylmethyl]phosphonic acid has a molecular weight of 275.20 g/mol, XLogP of -0.30, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [[[2-(hydroxyamino)-2-oxoethyl]-methylamino]-pyridin-3-ylmethyl]phosphonic acid is sourced from PubChem (CID 142100270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).