(1-amino-2-hydroxypropyl)phosphonous acid

C3H10NO3P — CID 55285471

IUPAC(1-amino-2-hydroxypropyl)phosphonous acid
SMILESCC(O)C(N)P(O)O
InChIInChI=1S/C3H10NO3P/c1-2(5)3(4)8(6)7/h2-3,5-7H,4H2,1H3
InChIKeyRXKHKGDMYNNTNV-UHFFFAOYSA-N
MW139.09 g/mol
LogP-1.05
Rot. Bonds2

About (1-amino-2-hydroxypropyl)phosphonous acid

(1-amino-2-hydroxypropyl)phosphonous acid (PubChem CID 55285471) has the molecular formula C3H10NO3P and a molecular weight of 139.09 g/mol. Its IUPAC name is (1-amino-2-hydroxypropyl)phosphonous acid.

Molecular Properties

Compound Name(1-amino-2-hydroxypropyl)phosphonous acid
PubChem CID55285471
Molecular FormulaC3H10NO3P
Molecular Weight139.09 g/mol
Exact Mass139.04
IUPAC Name(1-amino-2-hydroxypropyl)phosphonous acid
SMILESCC(O)C(N)P(O)O
InChIInChI=1S/C3H10NO3P/c1-2(5)3(4)8(6)7/h2-3,5-7H,4H2,1H3
InChIKeyRXKHKGDMYNNTNV-UHFFFAOYSA-N
XLogP-1.05
TPSA86.71 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.09
LogP ≤ 5-1.05
H-Bond Donors ≤ 54
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-2-hydroxypropyl)phosphonous acid?
The IUPAC name of (1-amino-2-hydroxypropyl)phosphonous acid (CID 55285471) is (1-amino-2-hydroxypropyl)phosphonous acid.
What is the SMILES notation for (1-amino-2-hydroxypropyl)phosphonous acid?
The canonical SMILES for (1-amino-2-hydroxypropyl)phosphonous acid is CC(O)C(N)P(O)O.
What is the InChIKey of (1-amino-2-hydroxypropyl)phosphonous acid?
The InChIKey is RXKHKGDMYNNTNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10NO3P/c1-2(5)3(4)8(6)7/h2-3,5-7H,4H2,1H3.
What are the key properties of (1-amino-2-hydroxypropyl)phosphonous acid?
(1-amino-2-hydroxypropyl)phosphonous acid has a molecular weight of 139.09 g/mol, XLogP of -1.05, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-2-hydroxypropyl)phosphonous acid is sourced from PubChem (CID 55285471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).