1-amino-3-phosphorosooxypropan-2-one

C3H6NO3P — CID 87800889

IUPAC1-amino-3-phosphorosooxypropan-2-one
SMILESNCC(=O)COP=O
InChIInChI=1S/C3H6NO3P/c4-1-3(5)2-7-8-6/h1-2,4H2
InChIKeyZSYNQNHCBFFPCH-UHFFFAOYSA-N
MW135.06 g/mol
LogP-0.26
Rot. Bonds4

About 1-amino-3-phosphorosooxypropan-2-one

1-amino-3-phosphorosooxypropan-2-one (PubChem CID 87800889) has the molecular formula C3H6NO3P and a molecular weight of 135.06 g/mol. Its IUPAC name is 1-amino-3-phosphorosooxypropan-2-one.

Molecular Properties

Compound Name1-amino-3-phosphorosooxypropan-2-one
PubChem CID87800889
Molecular FormulaC3H6NO3P
Molecular Weight135.06 g/mol
Exact Mass135.01
IUPAC Name1-amino-3-phosphorosooxypropan-2-one
SMILESNCC(=O)COP=O
InChIInChI=1S/C3H6NO3P/c4-1-3(5)2-7-8-6/h1-2,4H2
InChIKeyZSYNQNHCBFFPCH-UHFFFAOYSA-N
XLogP-0.26
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.06
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-phosphorosooxypropan-2-one?
The IUPAC name of 1-amino-3-phosphorosooxypropan-2-one (CID 87800889) is 1-amino-3-phosphorosooxypropan-2-one.
What is the SMILES notation for 1-amino-3-phosphorosooxypropan-2-one?
The canonical SMILES for 1-amino-3-phosphorosooxypropan-2-one is NCC(=O)COP=O.
What is the InChIKey of 1-amino-3-phosphorosooxypropan-2-one?
The InChIKey is ZSYNQNHCBFFPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6NO3P/c4-1-3(5)2-7-8-6/h1-2,4H2.
What are the key properties of 1-amino-3-phosphorosooxypropan-2-one?
1-amino-3-phosphorosooxypropan-2-one has a molecular weight of 135.06 g/mol, XLogP of -0.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-phosphorosooxypropan-2-one is sourced from PubChem (CID 87800889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).