(3-amino-1-hydroxy-2-oxopropyl)-oxido-oxophosphanium

C3H6NO4P — CID 165057029

IUPAC(3-amino-1-hydroxy-2-oxopropyl)-oxido-oxophosphanium
SMILESNCC(=O)C(O)[P+](=O)[O-]
InChIInChI=1S/C3H6NO4P/c4-1-2(5)3(6)9(7)8/h3,6H,1,4H2
InChIKeyQPCSZIKGCBLGQI-UHFFFAOYSA-N
MW151.06 g/mol
LogP-2.06
Rot. Bonds3

About (3-amino-1-hydroxy-2-oxopropyl)-oxido-oxophosphanium

(3-amino-1-hydroxy-2-oxopropyl)-oxido-oxophosphanium (PubChem CID 165057029) has the molecular formula C3H6NO4P and a molecular weight of 151.06 g/mol. Its IUPAC name is (3-amino-1-hydroxy-2-oxopropyl)-oxido-oxophosphanium.

Molecular Properties

Compound Name(3-amino-1-hydroxy-2-oxopropyl)-oxido-oxophosphanium
PubChem CID165057029
Molecular FormulaC3H6NO4P
Molecular Weight151.06 g/mol
Exact Mass151.00
IUPAC Name(3-amino-1-hydroxy-2-oxopropyl)-oxido-oxophosphanium
SMILESNCC(=O)C(O)[P+](=O)[O-]
InChIInChI=1S/C3H6NO4P/c4-1-2(5)3(6)9(7)8/h3,6H,1,4H2
InChIKeyQPCSZIKGCBLGQI-UHFFFAOYSA-N
XLogP-2.06
TPSA103.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.06
LogP ≤ 5-2.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-Amino-3-hydroxypropan-2-one;phosphoric acid
CID 88003139
(3-Amino-2-oxopropoxy)-hydroxy-oxophosphanium
CID 88694405
(3-Amino-3-hydroxy-2-oxopropyl)phosphonic acid
CID 175225523
(3-Amino-3-hydroxy-2-oxopropyl)-oxido-oxophosphanium
CID 175225524
CID 20975252
CID 20975252
[(3-Hydroxy-2-oxopropyl)amino]phosphonic acid
CID 130030786

Frequently Asked Questions

What is the IUPAC name of (3-amino-1-hydroxy-2-oxopropyl)-oxido-oxophosphanium?
The IUPAC name of (3-amino-1-hydroxy-2-oxopropyl)-oxido-oxophosphanium (CID 165057029) is (3-amino-1-hydroxy-2-oxopropyl)-oxido-oxophosphanium.
What is the SMILES notation for (3-amino-1-hydroxy-2-oxopropyl)-oxido-oxophosphanium?
The canonical SMILES for (3-amino-1-hydroxy-2-oxopropyl)-oxido-oxophosphanium is NCC(=O)C(O)[P+](=O)[O-].
What is the InChIKey of (3-amino-1-hydroxy-2-oxopropyl)-oxido-oxophosphanium?
The InChIKey is QPCSZIKGCBLGQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6NO4P/c4-1-2(5)3(6)9(7)8/h3,6H,1,4H2.
What are the key properties of (3-amino-1-hydroxy-2-oxopropyl)-oxido-oxophosphanium?
(3-amino-1-hydroxy-2-oxopropyl)-oxido-oxophosphanium has a molecular weight of 151.06 g/mol, XLogP of -2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-1-hydroxy-2-oxopropyl)-oxido-oxophosphanium is sourced from PubChem (CID 165057029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).