prop-2-enyl 2-[[3-methoxy-2-(phosphanylamino)propanoyl]amino]-3-methyl-5-oxohexanoate

C14H25N2O5P — CID 20806816

IUPACprop-2-enyl 2-[[3-methoxy-2-(phosphanylamino)propanoyl]amino]-3-methyl-5-oxohexanoate
SMILESC=CCOC(=O)C(NC(=O)C(COC)NP)C(C)CC(C)=O
InChIInChI=1S/C14H25N2O5P/c1-5-6-21-14(19)12(9(2)7-10(3)17)15-13(18)11(16-22)8-20-4/h5,9,11-12,16H,1,6-8,22H2,2-4H3,(H,15,18)
InChIKeyOHOQXFPVRMUULF-UHFFFAOYSA-N
MW332.34 g/mol
LogP0.21
Rot. Bonds11

About prop-2-enyl 2-[[3-methoxy-2-(phosphanylamino)propanoyl]amino]-3-methyl-5-oxohexanoate

prop-2-enyl 2-[[3-methoxy-2-(phosphanylamino)propanoyl]amino]-3-methyl-5-oxohexanoate (PubChem CID 20806816) has the molecular formula C14H25N2O5P and a molecular weight of 332.34 g/mol. Its IUPAC name is prop-2-enyl 2-[[3-methoxy-2-(phosphanylamino)propanoyl]amino]-3-methyl-5-oxohexanoate.

Molecular Properties

Compound Nameprop-2-enyl 2-[[3-methoxy-2-(phosphanylamino)propanoyl]amino]-3-methyl-5-oxohexanoate
PubChem CID20806816
Molecular FormulaC14H25N2O5P
Molecular Weight332.34 g/mol
Exact Mass332.15
IUPAC Nameprop-2-enyl 2-[[3-methoxy-2-(phosphanylamino)propanoyl]amino]-3-methyl-5-oxohexanoate
SMILESC=CCOC(=O)C(NC(=O)C(COC)NP)C(C)CC(C)=O
InChIInChI=1S/C14H25N2O5P/c1-5-6-21-14(19)12(9(2)7-10(3)17)15-13(18)11(16-22)8-20-4/h5,9,11-12,16H,1,6-8,22H2,2-4H3,(H,15,18)
InChIKeyOHOQXFPVRMUULF-UHFFFAOYSA-N
XLogP0.21
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.34
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2-[[3-methoxy-2-(phosphanylamino)propanoyl]amino]-3-methyl-5-oxohexanoate?
The IUPAC name of prop-2-enyl 2-[[3-methoxy-2-(phosphanylamino)propanoyl]amino]-3-methyl-5-oxohexanoate (CID 20806816) is prop-2-enyl 2-[[3-methoxy-2-(phosphanylamino)propanoyl]amino]-3-methyl-5-oxohexanoate.
What is the SMILES notation for prop-2-enyl 2-[[3-methoxy-2-(phosphanylamino)propanoyl]amino]-3-methyl-5-oxohexanoate?
The canonical SMILES for prop-2-enyl 2-[[3-methoxy-2-(phosphanylamino)propanoyl]amino]-3-methyl-5-oxohexanoate is C=CCOC(=O)C(NC(=O)C(COC)NP)C(C)CC(C)=O.
What is the InChIKey of prop-2-enyl 2-[[3-methoxy-2-(phosphanylamino)propanoyl]amino]-3-methyl-5-oxohexanoate?
The InChIKey is OHOQXFPVRMUULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N2O5P/c1-5-6-21-14(19)12(9(2)7-10(3)17)15-13(18)11(16-22)8-20-4/h5,9,11-12,16H,1,6-8,22H2,2-4H3,(H,15,18).
What are the key properties of prop-2-enyl 2-[[3-methoxy-2-(phosphanylamino)propanoyl]amino]-3-methyl-5-oxohexanoate?
prop-2-enyl 2-[[3-methoxy-2-(phosphanylamino)propanoyl]amino]-3-methyl-5-oxohexanoate has a molecular weight of 332.34 g/mol, XLogP of 0.21, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-[[3-methoxy-2-(phosphanylamino)propanoyl]amino]-3-methyl-5-oxohexanoate is sourced from PubChem (CID 20806816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).