(2-amino-1-hydroxypropan-2-yl)phosphonic acid

C3H10NO4P — CID 22262973

IUPAC(2-amino-1-hydroxypropan-2-yl)phosphonic acid
SMILESCC(N)(CO)P(=O)(O)O
InChIInChI=1S/C3H10NO4P/c1-3(4,2-5)9(6,7)8/h5H,2,4H2,1H3,(H2,6,7,8)
InChIKeyXSNWJYZXNBFVQC-UHFFFAOYSA-N
MW155.09 g/mol
LogP-1.17
Rot. Bonds2

About (2-amino-1-hydroxypropan-2-yl)phosphonic acid

(2-amino-1-hydroxypropan-2-yl)phosphonic acid (PubChem CID 22262973) has the molecular formula C3H10NO4P and a molecular weight of 155.09 g/mol. Its IUPAC name is (2-amino-1-hydroxypropan-2-yl)phosphonic acid.

Molecular Properties

Compound Name(2-amino-1-hydroxypropan-2-yl)phosphonic acid
PubChem CID22262973
Molecular FormulaC3H10NO4P
Molecular Weight155.09 g/mol
Exact Mass155.03
IUPAC Name(2-amino-1-hydroxypropan-2-yl)phosphonic acid
SMILESCC(N)(CO)P(=O)(O)O
InChIInChI=1S/C3H10NO4P/c1-3(4,2-5)9(6,7)8/h5H,2,4H2,1H3,(H2,6,7,8)
InChIKeyXSNWJYZXNBFVQC-UHFFFAOYSA-N
XLogP-1.17
TPSA103.78 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.09
LogP ≤ 5-1.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-amino-1-chloropropan-2-yl)phosphonic acid
CID 87518546
2,5-diaminopentan-2-ylphosphonic acid
CID 86124340
[(2S)-2-amino-4-methylpentan-2-yl]phosphonic acid
CID 7167688
(2-amino-4-methylpentan-2-yl)phosphonic acid;hydrate
CID 53393196
bis(2-(hydroxymethyl)-2-methylpropane-1,3-diol);methylphosphonic acid
CID 158046425
(2-amino-16-methylheptadecan-2-yl)phosphonic acid
CID 146558699
aminomethyl(tert-butyl)phosphinic acid
CID 14024293
[amino(diphosphono)methyl]phosphonic acid
CID 14009244
2-amino-2-methylpropan-1-ol;carbonic acid
CID 21330274
4-hydroxy-3-methyl-2-oxo-3-phosphonobutanoic acid
CID 174900279
2-amino-2-(hydroxymethyl)propane-1,3-diol;hydroxymethyl dihydrogen phosphate;methanamine
CID 88828638
(2,4-dihydroxy-4-phosphonopentan-2-yl)phosphonic acid
CID 14325355

Frequently Asked Questions

What is the IUPAC name of (2-amino-1-hydroxypropan-2-yl)phosphonic acid?
The IUPAC name of (2-amino-1-hydroxypropan-2-yl)phosphonic acid (CID 22262973) is (2-amino-1-hydroxypropan-2-yl)phosphonic acid.
What is the SMILES notation for (2-amino-1-hydroxypropan-2-yl)phosphonic acid?
The canonical SMILES for (2-amino-1-hydroxypropan-2-yl)phosphonic acid is CC(N)(CO)P(=O)(O)O.
What is the InChIKey of (2-amino-1-hydroxypropan-2-yl)phosphonic acid?
The InChIKey is XSNWJYZXNBFVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10NO4P/c1-3(4,2-5)9(6,7)8/h5H,2,4H2,1H3,(H2,6,7,8).
What are the key properties of (2-amino-1-hydroxypropan-2-yl)phosphonic acid?
(2-amino-1-hydroxypropan-2-yl)phosphonic acid has a molecular weight of 155.09 g/mol, XLogP of -1.17, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-1-hydroxypropan-2-yl)phosphonic acid is sourced from PubChem (CID 22262973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).