(3-amino-3-hydroxy-2-oxopropyl)phosphonic acid

C3H8NO5P — CID 175225523

IUPAC(3-amino-3-hydroxy-2-oxopropyl)phosphonic acid
SMILESNC(O)C(=O)CP(=O)(O)O
InChIInChI=1S/C3H8NO5P/c4-3(6)2(5)1-10(7,8)9/h3,6H,1,4H2,(H2,7,8,9)
InChIKeyIOUQBWKYYAJOFF-UHFFFAOYSA-N
MW169.07 g/mol
LogP-1.99
Rot. Bonds3

About (3-amino-3-hydroxy-2-oxopropyl)phosphonic acid

(3-amino-3-hydroxy-2-oxopropyl)phosphonic acid (PubChem CID 175225523) has the molecular formula C3H8NO5P and a molecular weight of 169.07 g/mol. Its IUPAC name is (3-amino-3-hydroxy-2-oxopropyl)phosphonic acid.

Molecular Properties

Compound Name(3-amino-3-hydroxy-2-oxopropyl)phosphonic acid
PubChem CID175225523
Molecular FormulaC3H8NO5P
Molecular Weight169.07 g/mol
Exact Mass169.01
IUPAC Name(3-amino-3-hydroxy-2-oxopropyl)phosphonic acid
SMILESNC(O)C(=O)CP(=O)(O)O
InChIInChI=1S/C3H8NO5P/c4-3(6)2(5)1-10(7,8)9/h3,6H,1,4H2,(H2,7,8,9)
InChIKeyIOUQBWKYYAJOFF-UHFFFAOYSA-N
XLogP-1.99
TPSA120.85 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.07
LogP ≤ 5-1.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3-amino-3-hydroxy-2-oxopropyl)phosphonic acid?
The IUPAC name of (3-amino-3-hydroxy-2-oxopropyl)phosphonic acid (CID 175225523) is (3-amino-3-hydroxy-2-oxopropyl)phosphonic acid.
What is the SMILES notation for (3-amino-3-hydroxy-2-oxopropyl)phosphonic acid?
The canonical SMILES for (3-amino-3-hydroxy-2-oxopropyl)phosphonic acid is NC(O)C(=O)CP(=O)(O)O.
What is the InChIKey of (3-amino-3-hydroxy-2-oxopropyl)phosphonic acid?
The InChIKey is IOUQBWKYYAJOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8NO5P/c4-3(6)2(5)1-10(7,8)9/h3,6H,1,4H2,(H2,7,8,9).
What are the key properties of (3-amino-3-hydroxy-2-oxopropyl)phosphonic acid?
(3-amino-3-hydroxy-2-oxopropyl)phosphonic acid has a molecular weight of 169.07 g/mol, XLogP of -1.99, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-3-hydroxy-2-oxopropyl)phosphonic acid is sourced from PubChem (CID 175225523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).