(2S)-N-methoxy-N-methyl-4-phosphanylmorpholine-2-carboxamide

C7H15N2O3P — CID 58854871

IUPAC(2S)-N-methoxy-N-methyl-4-phosphanylmorpholine-2-carboxamide
SMILESCON(C)C(=O)[C@@H]1CN(P)CCO1
InChIInChI=1S/C7H15N2O3P/c1-8(11-2)7(10)6-5-9(13)3-4-12-6/h6H,3-5,13H2,1-2H3/t6-/m0/s1
InChIKeyVOQBWQYBHBLRDP-LURJTMIESA-N
MW206.18 g/mol
LogP-0.50
Rot. Bonds2

About (2S)-N-methoxy-N-methyl-4-phosphanylmorpholine-2-carboxamide

(2S)-N-methoxy-N-methyl-4-phosphanylmorpholine-2-carboxamide (PubChem CID 58854871) has the molecular formula C7H15N2O3P and a molecular weight of 206.18 g/mol. Its IUPAC name is (2S)-N-methoxy-N-methyl-4-phosphanylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-methoxy-N-methyl-4-phosphanylmorpholine-2-carboxamide
PubChem CID58854871
Molecular FormulaC7H15N2O3P
Molecular Weight206.18 g/mol
Exact Mass206.08
IUPAC Name(2S)-N-methoxy-N-methyl-4-phosphanylmorpholine-2-carboxamide
SMILESCON(C)C(=O)[C@@H]1CN(P)CCO1
InChIInChI=1S/C7H15N2O3P/c1-8(11-2)7(10)6-5-9(13)3-4-12-6/h6H,3-5,13H2,1-2H3/t6-/m0/s1
InChIKeyVOQBWQYBHBLRDP-LURJTMIESA-N
XLogP-0.50
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.18
LogP ≤ 5-0.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-methoxy-N-methyl-4-phosphanylmorpholine-2-carboxamide?
The IUPAC name of (2S)-N-methoxy-N-methyl-4-phosphanylmorpholine-2-carboxamide (CID 58854871) is (2S)-N-methoxy-N-methyl-4-phosphanylmorpholine-2-carboxamide.
What is the SMILES notation for (2S)-N-methoxy-N-methyl-4-phosphanylmorpholine-2-carboxamide?
The canonical SMILES for (2S)-N-methoxy-N-methyl-4-phosphanylmorpholine-2-carboxamide is CON(C)C(=O)[C@@H]1CN(P)CCO1.
What is the InChIKey of (2S)-N-methoxy-N-methyl-4-phosphanylmorpholine-2-carboxamide?
The InChIKey is VOQBWQYBHBLRDP-LURJTMIESA-N. The full InChI is InChI=1S/C7H15N2O3P/c1-8(11-2)7(10)6-5-9(13)3-4-12-6/h6H,3-5,13H2,1-2H3/t6-/m0/s1.
What are the key properties of (2S)-N-methoxy-N-methyl-4-phosphanylmorpholine-2-carboxamide?
(2S)-N-methoxy-N-methyl-4-phosphanylmorpholine-2-carboxamide has a molecular weight of 206.18 g/mol, XLogP of -0.50, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-methoxy-N-methyl-4-phosphanylmorpholine-2-carboxamide is sourced from PubChem (CID 58854871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).