propan-2-yl 2-[[[(E)-5-hydroxy-4-methylpent-3-enyl]-phenoxyphosphoryl]amino]acetate

C17H26NO5P — CID 139511548

IUPACpropan-2-yl 2-[[[(E)-5-hydroxy-4-methylpent-3-enyl]-phenoxyphosphoryl]amino]acetate
SMILESC/C(=C\CCP(=O)(NCC(=O)OC(C)C)Oc1ccccc1)CO
InChIInChI=1S/C17H26NO5P/c1-14(2)22-17(20)12-18-24(21,11-7-8-15(3)13-19)23-16-9-5-4-6-10-16/h4-6,8-10,14,19H,7,11-13H2,1-3H3,(H,18,21)/b15-8+
InChIKeyVSHIPDCBCPUGHS-OVCLIPMQSA-N
MW355.37 g/mol
LogP3.13
Rot. Bonds10

About propan-2-yl 2-[[[(E)-5-hydroxy-4-methylpent-3-enyl]-phenoxyphosphoryl]amino]acetate

propan-2-yl 2-[[[(E)-5-hydroxy-4-methylpent-3-enyl]-phenoxyphosphoryl]amino]acetate (PubChem CID 139511548) has the molecular formula C17H26NO5P and a molecular weight of 355.37 g/mol. Its IUPAC name is propan-2-yl 2-[[[(E)-5-hydroxy-4-methylpent-3-enyl]-phenoxyphosphoryl]amino]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[[[(E)-5-hydroxy-4-methylpent-3-enyl]-phenoxyphosphoryl]amino]acetate
PubChem CID139511548
Molecular FormulaC17H26NO5P
Molecular Weight355.37 g/mol
Exact Mass355.15
IUPAC Namepropan-2-yl 2-[[[(E)-5-hydroxy-4-methylpent-3-enyl]-phenoxyphosphoryl]amino]acetate
SMILESC/C(=C\CCP(=O)(NCC(=O)OC(C)C)Oc1ccccc1)CO
InChIInChI=1S/C17H26NO5P/c1-14(2)22-17(20)12-18-24(21,11-7-8-15(3)13-19)23-16-9-5-4-6-10-16/h4-6,8-10,14,19H,7,11-13H2,1-3H3,(H,18,21)/b15-8+
InChIKeyVSHIPDCBCPUGHS-OVCLIPMQSA-N
XLogP3.13
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze propan-2-yl 2-[[[(E)-5-hydroxy-4-methylpent-3-enyl]-phenoxyphosphoryl]amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[[[(E)-5-hydroxy-4-methylpent-3-enyl]-phenoxyphosphoryl]amino]acetate?
The IUPAC name of propan-2-yl 2-[[[(E)-5-hydroxy-4-methylpent-3-enyl]-phenoxyphosphoryl]amino]acetate (CID 139511548) is propan-2-yl 2-[[[(E)-5-hydroxy-4-methylpent-3-enyl]-phenoxyphosphoryl]amino]acetate.
What is the SMILES notation for propan-2-yl 2-[[[(E)-5-hydroxy-4-methylpent-3-enyl]-phenoxyphosphoryl]amino]acetate?
The canonical SMILES for propan-2-yl 2-[[[(E)-5-hydroxy-4-methylpent-3-enyl]-phenoxyphosphoryl]amino]acetate is C/C(=C\CCP(=O)(NCC(=O)OC(C)C)Oc1ccccc1)CO.
What is the InChIKey of propan-2-yl 2-[[[(E)-5-hydroxy-4-methylpent-3-enyl]-phenoxyphosphoryl]amino]acetate?
The InChIKey is VSHIPDCBCPUGHS-OVCLIPMQSA-N. The full InChI is InChI=1S/C17H26NO5P/c1-14(2)22-17(20)12-18-24(21,11-7-8-15(3)13-19)23-16-9-5-4-6-10-16/h4-6,8-10,14,19H,7,11-13H2,1-3H3,(H,18,21)/b15-8+.
What are the key properties of propan-2-yl 2-[[[(E)-5-hydroxy-4-methylpent-3-enyl]-phenoxyphosphoryl]amino]acetate?
propan-2-yl 2-[[[(E)-5-hydroxy-4-methylpent-3-enyl]-phenoxyphosphoryl]amino]acetate has a molecular weight of 355.37 g/mol, XLogP of 3.13, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[[[(E)-5-hydroxy-4-methylpent-3-enyl]-phenoxyphosphoryl]amino]acetate is sourced from PubChem (CID 139511548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).