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

C3H8NO5P — CID 130030786

IUPAC[(3-hydroxy-2-oxopropyl)amino]phosphonic acid
SMILESO=C(CO)CNP(=O)(O)O
InChIInChI=1S/C3H8NO5P/c5-2-3(6)1-4-10(7,8)9/h5H,1-2H2,(H3,4,7,8,9)
InChIKeyPRMMLWCDVRKDHT-UHFFFAOYSA-N
MW169.07 g/mol
LogP-1.77
Rot. Bonds4

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

[(3-hydroxy-2-oxopropyl)amino]phosphonic acid (PubChem CID 130030786) has the molecular formula C3H8NO5P and a molecular weight of 169.07 g/mol. Its IUPAC name is [(3-hydroxy-2-oxopropyl)amino]phosphonic acid.

Molecular Properties

Compound Name[(3-hydroxy-2-oxopropyl)amino]phosphonic acid
PubChem CID130030786
Molecular FormulaC3H8NO5P
Molecular Weight169.07 g/mol
Exact Mass169.01
IUPAC Name[(3-hydroxy-2-oxopropyl)amino]phosphonic acid
SMILESO=C(CO)CNP(=O)(O)O
InChIInChI=1S/C3H8NO5P/c5-2-3(6)1-4-10(7,8)9/h5H,1-2H2,(H3,4,7,8,9)
InChIKeyPRMMLWCDVRKDHT-UHFFFAOYSA-N
XLogP-1.77
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.07
LogP ≤ 5-1.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-Amino-2-oxopropyl phosphate
CID 5
1-Amino-3-hydroxypropan-2-one;phosphoric acid
CID 88003139
(3-Amino-2-oxopropoxy)-hydroxy-oxophosphanium
CID 88694405
(3-Amino-1-hydroxy-2-oxopropyl)-oxido-oxophosphanium
CID 165057029
(3-Amino-3-hydroxy-2-oxopropyl)phosphonic acid
CID 175225523
(3-Amino-3-hydroxy-2-oxopropyl)-oxido-oxophosphanium
CID 175225524
CID 20975252
CID 20975252

Frequently Asked Questions

What is the IUPAC name of [(3-hydroxy-2-oxopropyl)amino]phosphonic acid?
The IUPAC name of [(3-hydroxy-2-oxopropyl)amino]phosphonic acid (CID 130030786) is [(3-hydroxy-2-oxopropyl)amino]phosphonic acid.
What is the SMILES notation for [(3-hydroxy-2-oxopropyl)amino]phosphonic acid?
The canonical SMILES for [(3-hydroxy-2-oxopropyl)amino]phosphonic acid is O=C(CO)CNP(=O)(O)O.
What is the InChIKey of [(3-hydroxy-2-oxopropyl)amino]phosphonic acid?
The InChIKey is PRMMLWCDVRKDHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8NO5P/c5-2-3(6)1-4-10(7,8)9/h5H,1-2H2,(H3,4,7,8,9).
What are the key properties of [(3-hydroxy-2-oxopropyl)amino]phosphonic acid?
[(3-hydroxy-2-oxopropyl)amino]phosphonic acid has a molecular weight of 169.07 g/mol, XLogP of -1.77, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-hydroxy-2-oxopropyl)amino]phosphonic acid is sourced from PubChem (CID 130030786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).