2-hydroxy-N-(2-hydroxyethyl)propanamide;phosphoric acid

C5H14NO7P — CID 87238089

IUPAC2-hydroxy-N-(2-hydroxyethyl)propanamide;phosphoric acid
SMILESCC(O)C(=O)NCCO.O=P(O)(O)O
InChIInChI=1S/C5H11NO3.H3O4P/c1-4(8)5(9)6-2-3-7;1-5(2,3)4/h4,7-8H,2-3H2,1H3,(H,6,9);(H3,1,2,3,4)
InChIKeyUHVYOUXOWATKED-UHFFFAOYSA-N
MW231.14 g/mol
LogP-2.45
Rot. Bonds3

About 2-hydroxy-N-(2-hydroxyethyl)propanamide;phosphoric acid

2-hydroxy-N-(2-hydroxyethyl)propanamide;phosphoric acid (PubChem CID 87238089) has the molecular formula C5H14NO7P and a molecular weight of 231.14 g/mol. Its IUPAC name is 2-hydroxy-N-(2-hydroxyethyl)propanamide;phosphoric acid.

Molecular Properties

Compound Name2-hydroxy-N-(2-hydroxyethyl)propanamide;phosphoric acid
PubChem CID87238089
Molecular FormulaC5H14NO7P
Molecular Weight231.14 g/mol
Exact Mass231.05
IUPAC Name2-hydroxy-N-(2-hydroxyethyl)propanamide;phosphoric acid
SMILESCC(O)C(=O)NCCO.O=P(O)(O)O
InChIInChI=1S/C5H11NO3.H3O4P/c1-4(8)5(9)6-2-3-7;1-5(2,3)4/h4,7-8H,2-3H2,1H3,(H,6,9);(H3,1,2,3,4)
InChIKeyUHVYOUXOWATKED-UHFFFAOYSA-N
XLogP-2.45
TPSA147.32 Ų
H-Bond Donors6
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500231.14
LogP ≤ 5-2.45
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(2-hydroxyethyl)propanamide;phosphoric acid?
The IUPAC name of 2-hydroxy-N-(2-hydroxyethyl)propanamide;phosphoric acid (CID 87238089) is 2-hydroxy-N-(2-hydroxyethyl)propanamide;phosphoric acid.
What is the SMILES notation for 2-hydroxy-N-(2-hydroxyethyl)propanamide;phosphoric acid?
The canonical SMILES for 2-hydroxy-N-(2-hydroxyethyl)propanamide;phosphoric acid is CC(O)C(=O)NCCO.O=P(O)(O)O.
What is the InChIKey of 2-hydroxy-N-(2-hydroxyethyl)propanamide;phosphoric acid?
The InChIKey is UHVYOUXOWATKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO3.H3O4P/c1-4(8)5(9)6-2-3-7;1-5(2,3)4/h4,7-8H,2-3H2,1H3,(H,6,9);(H3,1,2,3,4).
What are the key properties of 2-hydroxy-N-(2-hydroxyethyl)propanamide;phosphoric acid?
2-hydroxy-N-(2-hydroxyethyl)propanamide;phosphoric acid has a molecular weight of 231.14 g/mol, XLogP of -2.45, 3 rotatable bonds, 6 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(2-hydroxyethyl)propanamide;phosphoric acid is sourced from PubChem (CID 87238089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).