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

C3H9ClNO3P — CID 87518546

IUPAC(2-amino-1-chloropropan-2-yl)phosphonic acid
SMILESCC(N)(CCl)P(=O)(O)O
InChIInChI=1S/C3H9ClNO3P/c1-3(5,2-4)9(6,7)8/h2,5H2,1H3,(H2,6,7,8)
InChIKeyRUUVHQUROJVEJC-UHFFFAOYSA-N
MW173.54 g/mol
LogP0.08
Rot. Bonds2

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

(2-amino-1-chloropropan-2-yl)phosphonic acid (PubChem CID 87518546) has the molecular formula C3H9ClNO3P and a molecular weight of 173.54 g/mol. Its IUPAC name is (2-amino-1-chloropropan-2-yl)phosphonic acid.

Molecular Properties

Compound Name(2-amino-1-chloropropan-2-yl)phosphonic acid
PubChem CID87518546
Molecular FormulaC3H9ClNO3P
Molecular Weight173.54 g/mol
Exact Mass173.00
IUPAC Name(2-amino-1-chloropropan-2-yl)phosphonic acid
SMILESCC(N)(CCl)P(=O)(O)O
InChIInChI=1S/C3H9ClNO3P/c1-3(5,2-4)9(6,7)8/h2,5H2,1H3,(H2,6,7,8)
InChIKeyRUUVHQUROJVEJC-UHFFFAOYSA-N
XLogP0.08
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.54
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-amino-1-chloropropan-2-yl)phosphonic acid?
The IUPAC name of (2-amino-1-chloropropan-2-yl)phosphonic acid (CID 87518546) is (2-amino-1-chloropropan-2-yl)phosphonic acid.
What is the SMILES notation for (2-amino-1-chloropropan-2-yl)phosphonic acid?
The canonical SMILES for (2-amino-1-chloropropan-2-yl)phosphonic acid is CC(N)(CCl)P(=O)(O)O.
What is the InChIKey of (2-amino-1-chloropropan-2-yl)phosphonic acid?
The InChIKey is RUUVHQUROJVEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9ClNO3P/c1-3(5,2-4)9(6,7)8/h2,5H2,1H3,(H2,6,7,8).
What are the key properties of (2-amino-1-chloropropan-2-yl)phosphonic acid?
(2-amino-1-chloropropan-2-yl)phosphonic acid has a molecular weight of 173.54 g/mol, XLogP of 0.08, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-1-chloropropan-2-yl)phosphonic acid is sourced from PubChem (CID 87518546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).