2-[(2-hydroxy-3-phosphonooxypropyl)amino]acetic acid

C5H12NO7P — CID 57152304

IUPAC2-[(2-hydroxy-3-phosphonooxypropyl)amino]acetic acid
SMILESO=C(O)CNCC(O)COP(=O)(O)O
InChIInChI=1S/C5H12NO7P/c7-4(1-6-2-5(8)9)3-13-14(10,11)12/h4,6-7H,1-3H2,(H,8,9)(H2,10,11,12)
InChIKeyYAGVIFWUFFZAMR-UHFFFAOYSA-N
MW229.12 g/mol
LogP-1.87
Rot. Bonds7

About 2-[(2-hydroxy-3-phosphonooxypropyl)amino]acetic acid

2-[(2-hydroxy-3-phosphonooxypropyl)amino]acetic acid (PubChem CID 57152304) has the molecular formula C5H12NO7P and a molecular weight of 229.12 g/mol. Its IUPAC name is 2-[(2-hydroxy-3-phosphonooxypropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-hydroxy-3-phosphonooxypropyl)amino]acetic acid
PubChem CID57152304
Molecular FormulaC5H12NO7P
Molecular Weight229.12 g/mol
Exact Mass229.04
IUPAC Name2-[(2-hydroxy-3-phosphonooxypropyl)amino]acetic acid
SMILESO=C(O)CNCC(O)COP(=O)(O)O
InChIInChI=1S/C5H12NO7P/c7-4(1-6-2-5(8)9)3-13-14(10,11)12/h4,6-7H,1-3H2,(H,8,9)(H2,10,11,12)
InChIKeyYAGVIFWUFFZAMR-UHFFFAOYSA-N
XLogP-1.87
TPSA136.32 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.12
LogP ≤ 5-1.87
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-hydroxy-3-propan-2-yloxypropyl)amino]acetic acid
CID 63989473
2,3-dihydroxypropyl dihydrogen phosphate;hydrate
CID 88718153
2,3-dihydroxypropyl dihydrogen phosphate;zinc
CID 88760413
[(2R)-2-hydroxy-3-phosphonooxypropyl] formate
CID 25163997
trimagnesium;2,3-dihydroxypropyl dihydrogen phosphate;hydride
CID 174390583
2-[2,2-bis(diethoxyphosphoryl)ethylamino]acetic acid
CID 134831128
2-[2-[[3-[2-(carboxymethoxy)ethoxy]-2-hydroxypropyl]amino]ethylamino]acetic acid
CID 139456344
2,3-dihydroxypropyl dihydrogen phosphate;2-methylprop-2-enoic acid
CID 159257312
3-hydroxy-2-oxo-4-phosphonooxybutanoic acid
CID 113
[2-hydroxy-3-[[(Z)-octadec-9-enoyl]amino]propyl] dihydrogen phosphate
CID 15872431
4-hydroxy-3-(methylamino)-5-phosphonooxypentanoic acid
CID 57085097
acetic acid;2-(2,2-dihydroxyethylamino)acetic acid
CID 175208763

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-3-phosphonooxypropyl)amino]acetic acid?
The IUPAC name of 2-[(2-hydroxy-3-phosphonooxypropyl)amino]acetic acid (CID 57152304) is 2-[(2-hydroxy-3-phosphonooxypropyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-hydroxy-3-phosphonooxypropyl)amino]acetic acid?
The canonical SMILES for 2-[(2-hydroxy-3-phosphonooxypropyl)amino]acetic acid is O=C(O)CNCC(O)COP(=O)(O)O.
What is the InChIKey of 2-[(2-hydroxy-3-phosphonooxypropyl)amino]acetic acid?
The InChIKey is YAGVIFWUFFZAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12NO7P/c7-4(1-6-2-5(8)9)3-13-14(10,11)12/h4,6-7H,1-3H2,(H,8,9)(H2,10,11,12).
What are the key properties of 2-[(2-hydroxy-3-phosphonooxypropyl)amino]acetic acid?
2-[(2-hydroxy-3-phosphonooxypropyl)amino]acetic acid has a molecular weight of 229.12 g/mol, XLogP of -1.87, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-3-phosphonooxypropyl)amino]acetic acid is sourced from PubChem (CID 57152304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).