cis-(1R,2R)-2-diethoxyphosphoryl-1-methylcyclopropan-1-amine

C8H18NO3P — CID 122388354

IUPACcis-(1R,2R)-2-diethoxyphosphoryl-1-methylcyclopropan-1-amine
SMILESCCOP(=O)(OCC)[C@@H]1C[C@@]1(C)N
InChIInChI=1S/C8H18NO3P/c1-4-11-13(10,12-5-2)7-6-8(7,3)9/h7H,4-6,9H2,1-3H3/t7-,8-/m1/s1
InChIKeyUJRUHVLJBCNFEX-HTQZYQBOSA-N
MW207.21 g/mol
LogP1.74
Rot. Bonds5

About cis-(1R,2R)-2-diethoxyphosphoryl-1-methylcyclopropan-1-amine

cis-(1R,2R)-2-diethoxyphosphoryl-1-methylcyclopropan-1-amine (PubChem CID 122388354) has the molecular formula C8H18NO3P and a molecular weight of 207.21 g/mol. Its IUPAC name is cis-(1R,2R)-2-diethoxyphosphoryl-1-methylcyclopropan-1-amine.

Molecular Properties

Compound Namecis-(1R,2R)-2-diethoxyphosphoryl-1-methylcyclopropan-1-amine
PubChem CID122388354
Molecular FormulaC8H18NO3P
Molecular Weight207.21 g/mol
Exact Mass207.10
IUPAC Namecis-(1R,2R)-2-diethoxyphosphoryl-1-methylcyclopropan-1-amine
SMILESCCOP(=O)(OCC)[C@@H]1C[C@@]1(C)N
InChIInChI=1S/C8H18NO3P/c1-4-11-13(10,12-5-2)7-6-8(7,3)9/h7H,4-6,9H2,1-3H3/t7-,8-/m1/s1
InChIKeyUJRUHVLJBCNFEX-HTQZYQBOSA-N
XLogP1.74
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.21
LogP ≤ 51.74
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 cis-(1R,2R)-2-diethoxyphosphoryl-1-methylcyclopropan-1-amine?
The IUPAC name of cis-(1R,2R)-2-diethoxyphosphoryl-1-methylcyclopropan-1-amine (CID 122388354) is cis-(1R,2R)-2-diethoxyphosphoryl-1-methylcyclopropan-1-amine.
What is the SMILES notation for cis-(1R,2R)-2-diethoxyphosphoryl-1-methylcyclopropan-1-amine?
The canonical SMILES for cis-(1R,2R)-2-diethoxyphosphoryl-1-methylcyclopropan-1-amine is CCOP(=O)(OCC)[C@@H]1C[C@@]1(C)N.
What is the InChIKey of cis-(1R,2R)-2-diethoxyphosphoryl-1-methylcyclopropan-1-amine?
The InChIKey is UJRUHVLJBCNFEX-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H18NO3P/c1-4-11-13(10,12-5-2)7-6-8(7,3)9/h7H,4-6,9H2,1-3H3/t7-,8-/m1/s1.
What are the key properties of cis-(1R,2R)-2-diethoxyphosphoryl-1-methylcyclopropan-1-amine?
cis-(1R,2R)-2-diethoxyphosphoryl-1-methylcyclopropan-1-amine has a molecular weight of 207.21 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-2-diethoxyphosphoryl-1-methylcyclopropan-1-amine is sourced from PubChem (CID 122388354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).