2-[[1-hydroxy-2-(hydroxymethyl)-3-phosphanyloxypropan-2-yl]amino]acetic acid

C6H14NO5P — CID 18349976

IUPAC2-[[1-hydroxy-2-(hydroxymethyl)-3-phosphanyloxypropan-2-yl]amino]acetic acid
SMILESO=C(O)CNC(CO)(CO)COP
InChIInChI=1S/C6H14NO5P/c8-2-6(3-9,4-12-13)7-1-5(10)11/h7-9H,1-4,13H2,(H,10,11)
InChIKeyDKZUGFDKGVMOPM-UHFFFAOYSA-N
MW211.15 g/mol
LogP-1.81
Rot. Bonds7

About 2-[[1-hydroxy-2-(hydroxymethyl)-3-phosphanyloxypropan-2-yl]amino]acetic acid

2-[[1-hydroxy-2-(hydroxymethyl)-3-phosphanyloxypropan-2-yl]amino]acetic acid (PubChem CID 18349976) has the molecular formula C6H14NO5P and a molecular weight of 211.15 g/mol. Its IUPAC name is 2-[[1-hydroxy-2-(hydroxymethyl)-3-phosphanyloxypropan-2-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[[1-hydroxy-2-(hydroxymethyl)-3-phosphanyloxypropan-2-yl]amino]acetic acid
PubChem CID18349976
Molecular FormulaC6H14NO5P
Molecular Weight211.15 g/mol
Exact Mass211.06
IUPAC Name2-[[1-hydroxy-2-(hydroxymethyl)-3-phosphanyloxypropan-2-yl]amino]acetic acid
SMILESO=C(O)CNC(CO)(CO)COP
InChIInChI=1S/C6H14NO5P/c8-2-6(3-9,4-12-13)7-1-5(10)11/h7-9H,1-4,13H2,(H,10,11)
InChIKeyDKZUGFDKGVMOPM-UHFFFAOYSA-N
XLogP-1.81
TPSA99.02 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.15
LogP ≤ 5-1.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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-[[1-hydroxy-2-(hydroxymethyl)-3-phosphanyloxypropan-2-yl]amino]acetic acid?
The IUPAC name of 2-[[1-hydroxy-2-(hydroxymethyl)-3-phosphanyloxypropan-2-yl]amino]acetic acid (CID 18349976) is 2-[[1-hydroxy-2-(hydroxymethyl)-3-phosphanyloxypropan-2-yl]amino]acetic acid.
What is the SMILES notation for 2-[[1-hydroxy-2-(hydroxymethyl)-3-phosphanyloxypropan-2-yl]amino]acetic acid?
The canonical SMILES for 2-[[1-hydroxy-2-(hydroxymethyl)-3-phosphanyloxypropan-2-yl]amino]acetic acid is O=C(O)CNC(CO)(CO)COP.
What is the InChIKey of 2-[[1-hydroxy-2-(hydroxymethyl)-3-phosphanyloxypropan-2-yl]amino]acetic acid?
The InChIKey is DKZUGFDKGVMOPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14NO5P/c8-2-6(3-9,4-12-13)7-1-5(10)11/h7-9H,1-4,13H2,(H,10,11).
What are the key properties of 2-[[1-hydroxy-2-(hydroxymethyl)-3-phosphanyloxypropan-2-yl]amino]acetic acid?
2-[[1-hydroxy-2-(hydroxymethyl)-3-phosphanyloxypropan-2-yl]amino]acetic acid has a molecular weight of 211.15 g/mol, XLogP of -1.81, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-hydroxy-2-(hydroxymethyl)-3-phosphanyloxypropan-2-yl]amino]acetic acid is sourced from PubChem (CID 18349976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).