(1S,2S)-3-azido-1-diethoxyphosphoryl-2-[[(1R)-1-phenylethyl]amino]propan-1-ol

C15H25N4O4P — CID 102420550

IUPAC(1S,2S)-3-azido-1-diethoxyphosphoryl-2-[[(1R)-1-phenylethyl]amino]propan-1-ol
SMILESCCOP(=O)(OCC)[C@H](O)[C@H](CN=[N+]=[N-])N[C@H](C)c1ccccc1
InChIInChI=1S/C15H25N4O4P/c1-4-22-24(21,23-5-2)15(20)14(11-17-19-16)18-12(3)13-9-7-6-8-10-13/h6-10,12,14-15,18,20H,4-5,11H2,1-3H3/t12-,14+,15+/m1/s1
InChIKeyKVLDXLLKKZZWJJ-SNPRPXQTSA-N
MW356.36 g/mol
LogP3.60
Rot. Bonds11

About (1S,2S)-3-azido-1-diethoxyphosphoryl-2-[[(1R)-1-phenylethyl]amino]propan-1-ol

(1S,2S)-3-azido-1-diethoxyphosphoryl-2-[[(1R)-1-phenylethyl]amino]propan-1-ol (PubChem CID 102420550) has the molecular formula C15H25N4O4P and a molecular weight of 356.36 g/mol. Its IUPAC name is (1S,2S)-3-azido-1-diethoxyphosphoryl-2-[[(1R)-1-phenylethyl]amino]propan-1-ol.

Molecular Properties

Compound Name(1S,2S)-3-azido-1-diethoxyphosphoryl-2-[[(1R)-1-phenylethyl]amino]propan-1-ol
PubChem CID102420550
Molecular FormulaC15H25N4O4P
Molecular Weight356.36 g/mol
Exact Mass356.16
IUPAC Name(1S,2S)-3-azido-1-diethoxyphosphoryl-2-[[(1R)-1-phenylethyl]amino]propan-1-ol
SMILESCCOP(=O)(OCC)[C@H](O)[C@H](CN=[N+]=[N-])N[C@H](C)c1ccccc1
InChIInChI=1S/C15H25N4O4P/c1-4-22-24(21,23-5-2)15(20)14(11-17-19-16)18-12(3)13-9-7-6-8-10-13/h6-10,12,14-15,18,20H,4-5,11H2,1-3H3/t12-,14+,15+/m1/s1
InChIKeyKVLDXLLKKZZWJJ-SNPRPXQTSA-N
XLogP3.60
TPSA116.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.36
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze (1S,2S)-3-azido-1-diethoxyphosphoryl-2-[[(1R)-1-phenylethyl]amino]propan-1-ol with MolForge

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

Launch Full Analysis

Related Compounds

2-chloro-N-[diethoxyphosphoryl(phenyl)methyl]propanamide
CID 15495992
bis(diethoxyphosphoryl)methylbenzene
CID 11132243
1-diethoxyphosphoryl-3-phenylpropan-1-ol
CID 12930490
1-azido-N-benzyl-1-diethoxyphosphorylmethanamine
CID 24975691
1-[ethoxy(phenyl)phosphoryl]-3-methyl-N-[(1S)-1-phenylethyl]butan-1-amine
CID 101246297
methyl 2-[[[azido(phenyl)methyl]-ethoxyphosphoryl]amino]propanoate
CID 11301815
[[azido(diethoxyphosphoryl)methyl]-ethoxyphosphoryl]benzene
CID 21015356
2-diethoxyphosphoryl-N-(1-phenylethyl)acetamide
CID 56955836
3-diethoxyphosphoryl-N-[(1S)-1-phenylethyl]butan-2-imine
CID 102080161
N'-[diethoxyphosphoryl(phenyl)methyl]benzohydrazide
CID 14923152
N-[(R)-diethoxyphosphoryl(phenyl)methyl]-4-fluorobenzamide
CID 2324721
(2S,3R)-3-(1-phenylethylamino)butane-1,2,4-triol
CID 70991072

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-3-azido-1-diethoxyphosphoryl-2-[[(1R)-1-phenylethyl]amino]propan-1-ol?
The IUPAC name of (1S,2S)-3-azido-1-diethoxyphosphoryl-2-[[(1R)-1-phenylethyl]amino]propan-1-ol (CID 102420550) is (1S,2S)-3-azido-1-diethoxyphosphoryl-2-[[(1R)-1-phenylethyl]amino]propan-1-ol.
What is the SMILES notation for (1S,2S)-3-azido-1-diethoxyphosphoryl-2-[[(1R)-1-phenylethyl]amino]propan-1-ol?
The canonical SMILES for (1S,2S)-3-azido-1-diethoxyphosphoryl-2-[[(1R)-1-phenylethyl]amino]propan-1-ol is CCOP(=O)(OCC)[C@H](O)[C@H](CN=[N+]=[N-])N[C@H](C)c1ccccc1.
What is the InChIKey of (1S,2S)-3-azido-1-diethoxyphosphoryl-2-[[(1R)-1-phenylethyl]amino]propan-1-ol?
The InChIKey is KVLDXLLKKZZWJJ-SNPRPXQTSA-N. The full InChI is InChI=1S/C15H25N4O4P/c1-4-22-24(21,23-5-2)15(20)14(11-17-19-16)18-12(3)13-9-7-6-8-10-13/h6-10,12,14-15,18,20H,4-5,11H2,1-3H3/t12-,14+,15+/m1/s1.
What are the key properties of (1S,2S)-3-azido-1-diethoxyphosphoryl-2-[[(1R)-1-phenylethyl]amino]propan-1-ol?
(1S,2S)-3-azido-1-diethoxyphosphoryl-2-[[(1R)-1-phenylethyl]amino]propan-1-ol has a molecular weight of 356.36 g/mol, XLogP of 3.60, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-3-azido-1-diethoxyphosphoryl-2-[[(1R)-1-phenylethyl]amino]propan-1-ol is sourced from PubChem (CID 102420550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).