(3-amino-2-oxopropyl)-trihydroxyphosphanium

C3H9NO4P+ — CID 57252262

IUPAC(3-amino-2-oxopropyl)-trihydroxyphosphanium
SMILESNCC(=O)C[P+](O)(O)O
InChIInChI=1S/C3H9NO4P/c4-1-3(5)2-9(6,7)8/h6-8H,1-2,4H2/q+1
InChIKeyXPNLIYLDUGQJIZ-UHFFFAOYSA-N
MW154.08 g/mol
LogP-1.75
Rot. Bonds3

About (3-amino-2-oxopropyl)-trihydroxyphosphanium

(3-amino-2-oxopropyl)-trihydroxyphosphanium (PubChem CID 57252262) has the molecular formula C3H9NO4P+ and a molecular weight of 154.08 g/mol. Its IUPAC name is (3-amino-2-oxopropyl)-trihydroxyphosphanium.

Molecular Properties

Compound Name(3-amino-2-oxopropyl)-trihydroxyphosphanium
PubChem CID57252262
Molecular FormulaC3H9NO4P+
Molecular Weight154.08 g/mol
Exact Mass154.03
IUPAC Name(3-amino-2-oxopropyl)-trihydroxyphosphanium
SMILESNCC(=O)C[P+](O)(O)O
InChIInChI=1S/C3H9NO4P/c4-1-3(5)2-9(6,7)8/h6-8H,1-2,4H2/q+1
InChIKeyXPNLIYLDUGQJIZ-UHFFFAOYSA-N
XLogP-1.75
TPSA103.78 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.08
LogP ≤ 5-1.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-5-amino-2-methyl-4-oxopentanoic acid
CID 122518877
2-aminoacetic acid;2-hydroxybutanedioic acid
CID 87750134
1-amino-3-hydroxypropan-2-one
CID 10909488
1,4-diaminohexan-2-one
CID 151855121
(3-amino-2-oxopropyl)-(cyclohexylidenemethyl)-dihydroxyphosphanium
CID 91929125
(2-chloro-2-oxoethyl)-trihydroxyphosphanium
CID 174608065
[3-[(carbamoylamino)-hydroxyamino]-2-oxopropyl]-trihydroxyphosphanium
CID 57206275
1-amino-4-hydroxybutan-2-one
CID 13368156
bis(2-aminoacetic acid);bis(2-aminobutanedioic acid)
CID 174810745
2-aminoacetic acid;2-aminobutanedioic acid
CID 18761839
1-amino-6-chloro-4-methylhexan-2-one
CID 175265964
5-(15N)azanyl-4-oxopentanoic acid
CID 11018904

Frequently Asked Questions

What is the IUPAC name of (3-amino-2-oxopropyl)-trihydroxyphosphanium?
The IUPAC name of (3-amino-2-oxopropyl)-trihydroxyphosphanium (CID 57252262) is (3-amino-2-oxopropyl)-trihydroxyphosphanium.
What is the SMILES notation for (3-amino-2-oxopropyl)-trihydroxyphosphanium?
The canonical SMILES for (3-amino-2-oxopropyl)-trihydroxyphosphanium is NCC(=O)C[P+](O)(O)O.
What is the InChIKey of (3-amino-2-oxopropyl)-trihydroxyphosphanium?
The InChIKey is XPNLIYLDUGQJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9NO4P/c4-1-3(5)2-9(6,7)8/h6-8H,1-2,4H2/q+1.
What are the key properties of (3-amino-2-oxopropyl)-trihydroxyphosphanium?
(3-amino-2-oxopropyl)-trihydroxyphosphanium has a molecular weight of 154.08 g/mol, XLogP of -1.75, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2-oxopropyl)-trihydroxyphosphanium is sourced from PubChem (CID 57252262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).