(2S)-N-[[(2S)-but-3-en-2-yl]oxy-phenoxyphosphoryl]but-3-en-2-amine

C14H20NO3P — CID 164590594

IUPAC(2S)-N-[[(2S)-but-3-en-2-yl]oxy-phenoxyphosphoryl]but-3-en-2-amine
SMILESC=C[C@H](C)NP(=O)(Oc1ccccc1)O[C@@H](C)C=C
InChIInChI=1S/C14H20NO3P/c1-5-12(3)15-19(16,17-13(4)6-2)18-14-10-8-7-9-11-14/h5-13H,1-2H2,3-4H3,(H,15,16)/t12-,13-,19?/m0/s1
InChIKeyGFRSQZNOTFYLAG-LOAJIVSNSA-N
MW281.29 g/mol
LogP3.93
Rot. Bonds8

About (2S)-N-[[(2S)-but-3-en-2-yl]oxy-phenoxyphosphoryl]but-3-en-2-amine

(2S)-N-[[(2S)-but-3-en-2-yl]oxy-phenoxyphosphoryl]but-3-en-2-amine (PubChem CID 164590594) has the molecular formula C14H20NO3P and a molecular weight of 281.29 g/mol. Its IUPAC name is (2S)-N-[[(2S)-but-3-en-2-yl]oxy-phenoxyphosphoryl]but-3-en-2-amine.

Molecular Properties

Compound Name(2S)-N-[[(2S)-but-3-en-2-yl]oxy-phenoxyphosphoryl]but-3-en-2-amine
PubChem CID164590594
Molecular FormulaC14H20NO3P
Molecular Weight281.29 g/mol
Exact Mass281.12
IUPAC Name(2S)-N-[[(2S)-but-3-en-2-yl]oxy-phenoxyphosphoryl]but-3-en-2-amine
SMILESC=C[C@H](C)NP(=O)(Oc1ccccc1)O[C@@H](C)C=C
InChIInChI=1S/C14H20NO3P/c1-5-12(3)15-19(16,17-13(4)6-2)18-14-10-8-7-9-11-14/h5-13H,1-2H2,3-4H3,(H,15,16)/t12-,13-,19?/m0/s1
InChIKeyGFRSQZNOTFYLAG-LOAJIVSNSA-N
XLogP3.93
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N-diphenoxyphosphorylpropan-2-amine;hydron
CID 139084842
N-diphenoxyphosphoryl-1-phenylethanamine
CID 4689320
but-3-en-2-yloxy(1-phenylethenyl)phosphinic acid
CID 88759865
propan-2-yl (2S)-2-(diphenoxyphosphorylamino)propanoate
CID 90392548
2-methylpropane;triphenyl phosphate
CID 91193965
N-[methylamino(phenoxy)phosphoryl]methanamine
CID 15643
[methyl-[[methyl(phenoxy)phosphoryl]amino]phosphoryl]oxybenzene
CID 11865181
3-[[ethoxy(phenoxy)phosphoryl]amino]butan-2-one
CID 123983388
2-but-3-en-2-yloxy-2-diphenoxyphosphorylimino-1,3-dimethyl-1,3,2λ5-diazaphospholidine
CID 101374073
1-diphenoxyphosphoryl-3-propan-2-ylthiourea
CID 139197223
but-3-enyl 2-[[(2,3,4,5,6-pentafluorophenoxy)-phenoxyphosphoryl]amino]propanoate
CID 123297384
propan-2-yl (2S)-2-[[methoxy(phenoxy)phosphoryl]amino]propanoate
CID 90055745

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[(2S)-but-3-en-2-yl]oxy-phenoxyphosphoryl]but-3-en-2-amine?
The IUPAC name of (2S)-N-[[(2S)-but-3-en-2-yl]oxy-phenoxyphosphoryl]but-3-en-2-amine (CID 164590594) is (2S)-N-[[(2S)-but-3-en-2-yl]oxy-phenoxyphosphoryl]but-3-en-2-amine.
What is the SMILES notation for (2S)-N-[[(2S)-but-3-en-2-yl]oxy-phenoxyphosphoryl]but-3-en-2-amine?
The canonical SMILES for (2S)-N-[[(2S)-but-3-en-2-yl]oxy-phenoxyphosphoryl]but-3-en-2-amine is C=C[C@H](C)NP(=O)(Oc1ccccc1)O[C@@H](C)C=C.
What is the InChIKey of (2S)-N-[[(2S)-but-3-en-2-yl]oxy-phenoxyphosphoryl]but-3-en-2-amine?
The InChIKey is GFRSQZNOTFYLAG-LOAJIVSNSA-N. The full InChI is InChI=1S/C14H20NO3P/c1-5-12(3)15-19(16,17-13(4)6-2)18-14-10-8-7-9-11-14/h5-13H,1-2H2,3-4H3,(H,15,16)/t12-,13-,19?/m0/s1.
What are the key properties of (2S)-N-[[(2S)-but-3-en-2-yl]oxy-phenoxyphosphoryl]but-3-en-2-amine?
(2S)-N-[[(2S)-but-3-en-2-yl]oxy-phenoxyphosphoryl]but-3-en-2-amine has a molecular weight of 281.29 g/mol, XLogP of 3.93, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[(2S)-but-3-en-2-yl]oxy-phenoxyphosphoryl]but-3-en-2-amine is sourced from PubChem (CID 164590594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).