propan-2-yl 2-[(cyclopropylidene-ethyl-phenoxy-λ5-phosphanyl)amino]propanoate

C17H26NO3P — CID 142963706

IUPACpropan-2-yl 2-[(cyclopropylidene-ethyl-phenoxy-λ5-phosphanyl)amino]propanoate
SMILESCCP(NC(C)C(=O)OC(C)C)(Oc1ccccc1)=C1CC1
InChIInChI=1S/C17H26NO3P/c1-5-22(16-11-12-16,21-15-9-7-6-8-10-15)18-14(4)17(19)20-13(2)3/h6-10,13-14,18H,5,11-12H2,1-4H3
InChIKeyAGXHJEUJVWEWRD-UHFFFAOYSA-N
MW323.37 g/mol
LogP3.83
Rot. Bonds7

About propan-2-yl 2-[(cyclopropylidene-ethyl-phenoxy-λ5-phosphanyl)amino]propanoate

propan-2-yl 2-[(cyclopropylidene-ethyl-phenoxy-λ5-phosphanyl)amino]propanoate (PubChem CID 142963706) has the molecular formula C17H26NO3P and a molecular weight of 323.37 g/mol. Its IUPAC name is propan-2-yl 2-[(cyclopropylidene-ethyl-phenoxy-λ5-phosphanyl)amino]propanoate.

Molecular Properties

Compound Namepropan-2-yl 2-[(cyclopropylidene-ethyl-phenoxy-λ5-phosphanyl)amino]propanoate
PubChem CID142963706
Molecular FormulaC17H26NO3P
Molecular Weight323.37 g/mol
Exact Mass323.17
IUPAC Namepropan-2-yl 2-[(cyclopropylidene-ethyl-phenoxy-λ5-phosphanyl)amino]propanoate
SMILESCCP(NC(C)C(=O)OC(C)C)(Oc1ccccc1)=C1CC1
InChIInChI=1S/C17H26NO3P/c1-5-22(16-11-12-16,21-15-9-7-6-8-10-15)18-14(4)17(19)20-13(2)3/h6-10,13-14,18H,5,11-12H2,1-4H3
InChIKeyAGXHJEUJVWEWRD-UHFFFAOYSA-N
XLogP3.83
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

propan-2-yl 2-[[ethyl(phenoxy)phosphoryl]amino]propanoate
CID 123570379
propan-2-yl (2S)-2-(diphenoxyphosphorylamino)propanoate
CID 90392548
propan-2-yl (2S)-2-[[methyl(phenoxy)phosphoryl]amino]propanoate
CID 58463507
propan-2-yl 2-[[2-methylpropoxy(phenoxy)phosphoryl]amino]propanoate
CID 164823812
propan-2-yl 2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate
CID 72578666
propan-2-yl 2-[[phenoxy(propan-2-yloxymethyl)phosphoryl]amino]propanoate
CID 90440549
propan-2-yl (2S)-2-[[methoxy(phenoxy)phosphoryl]amino]propanoate
CID 90055745
propan-2-yl (2R)-2-[[phenoxy(1-sulfanylpropan-2-yl)phosphinothioyl]amino]propanoate
CID 126586789
propan-2-yl 2-[[3-methylbutan-2-yloxymethyl(phenoxy)phosphoryl]amino]propanoate
CID 118967597
propan-2-yl (2S)-2-[[(4-methylphenyl)sulfanyl-phenoxyphosphoryl]amino]propanoate
CID 130465437
propan-2-yl (2S)-2-[[(2-methylidene-5-oxopyrrolidin-1-yl)oxy-phenoxyphosphoryl]amino]propanoate
CID 134594535
propan-2-yl 2-[[(2,3,4,5,6-pentafluorophenoxy)-phenoxyphosphoryl]amino]propanoate
CID 87400602

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[(cyclopropylidene-ethyl-phenoxy-λ5-phosphanyl)amino]propanoate?
The IUPAC name of propan-2-yl 2-[(cyclopropylidene-ethyl-phenoxy-λ5-phosphanyl)amino]propanoate (CID 142963706) is propan-2-yl 2-[(cyclopropylidene-ethyl-phenoxy-λ5-phosphanyl)amino]propanoate.
What is the SMILES notation for propan-2-yl 2-[(cyclopropylidene-ethyl-phenoxy-λ5-phosphanyl)amino]propanoate?
The canonical SMILES for propan-2-yl 2-[(cyclopropylidene-ethyl-phenoxy-λ5-phosphanyl)amino]propanoate is CCP(NC(C)C(=O)OC(C)C)(Oc1ccccc1)=C1CC1.
What is the InChIKey of propan-2-yl 2-[(cyclopropylidene-ethyl-phenoxy-λ5-phosphanyl)amino]propanoate?
The InChIKey is AGXHJEUJVWEWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26NO3P/c1-5-22(16-11-12-16,21-15-9-7-6-8-10-15)18-14(4)17(19)20-13(2)3/h6-10,13-14,18H,5,11-12H2,1-4H3.
What are the key properties of propan-2-yl 2-[(cyclopropylidene-ethyl-phenoxy-λ5-phosphanyl)amino]propanoate?
propan-2-yl 2-[(cyclopropylidene-ethyl-phenoxy-λ5-phosphanyl)amino]propanoate has a molecular weight of 323.37 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[(cyclopropylidene-ethyl-phenoxy-λ5-phosphanyl)amino]propanoate is sourced from PubChem (CID 142963706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).