(1-amino-2,2-dideuteriocyclopropyl)phosphonic acid

C3H8NO3P — CID 135043199

IUPAC(1-amino-2,2-dideuteriocyclopropyl)phosphonic acid
SMILES[2H]C1([2H])CC1(N)P(=O)(O)O
InChIInChI=1S/C3H8NO3P/c4-3(1-2-3)8(5,6)7/h1-2,4H2,(H2,5,6,7)/i1D2
InChIKeyWKCJTSHOKDLADL-DICFDUPASA-N
MW139.09 g/mol
LogP-0.39
Rot. Bonds1

About (1-amino-2,2-dideuteriocyclopropyl)phosphonic acid

(1-amino-2,2-dideuteriocyclopropyl)phosphonic acid (PubChem CID 135043199) has the molecular formula C3H8NO3P and a molecular weight of 139.09 g/mol. Its IUPAC name is (1-amino-2,2-dideuteriocyclopropyl)phosphonic acid.

Molecular Properties

Compound Name(1-amino-2,2-dideuteriocyclopropyl)phosphonic acid
PubChem CID135043199
Molecular FormulaC3H8NO3P
Molecular Weight139.09 g/mol
Exact Mass139.04
IUPAC Name(1-amino-2,2-dideuteriocyclopropyl)phosphonic acid
SMILES[2H]C1([2H])CC1(N)P(=O)(O)O
InChIInChI=1S/C3H8NO3P/c4-3(1-2-3)8(5,6)7/h1-2,4H2,(H2,5,6,7)/i1D2
InChIKeyWKCJTSHOKDLADL-DICFDUPASA-N
XLogP-0.39
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.09
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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-2,2-dideuteriocyclopropyl)phosphonic acid?
The IUPAC name of (1-amino-2,2-dideuteriocyclopropyl)phosphonic acid (CID 135043199) is (1-amino-2,2-dideuteriocyclopropyl)phosphonic acid.
What is the SMILES notation for (1-amino-2,2-dideuteriocyclopropyl)phosphonic acid?
The canonical SMILES for (1-amino-2,2-dideuteriocyclopropyl)phosphonic acid is [2H]C1([2H])CC1(N)P(=O)(O)O.
What is the InChIKey of (1-amino-2,2-dideuteriocyclopropyl)phosphonic acid?
The InChIKey is WKCJTSHOKDLADL-DICFDUPASA-N. The full InChI is InChI=1S/C3H8NO3P/c4-3(1-2-3)8(5,6)7/h1-2,4H2,(H2,5,6,7)/i1D2.
What are the key properties of (1-amino-2,2-dideuteriocyclopropyl)phosphonic acid?
(1-amino-2,2-dideuteriocyclopropyl)phosphonic acid has a molecular weight of 139.09 g/mol, XLogP of -0.39, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-2,2-dideuteriocyclopropyl)phosphonic acid is sourced from PubChem (CID 135043199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).