methyl 2-[[2-(diethoxyphosphorylmethyl)phenyl]methylamino]propanoate

C16H26NO5P — CID 19801625

IUPACmethyl 2-[[2-(diethoxyphosphorylmethyl)phenyl]methylamino]propanoate
SMILESCCOP(=O)(Cc1ccccc1CNC(C)C(=O)OC)OCC
InChIInChI=1S/C16H26NO5P/c1-5-21-23(19,22-6-2)12-15-10-8-7-9-14(15)11-17-13(3)16(18)20-4/h7-10,13,17H,5-6,11-12H2,1-4H3
InChIKeyUJRQBQWRMHBHRM-UHFFFAOYSA-N
MW343.36 g/mol
LogP3.10
Rot. Bonds10

About methyl 2-[[2-(diethoxyphosphorylmethyl)phenyl]methylamino]propanoate

methyl 2-[[2-(diethoxyphosphorylmethyl)phenyl]methylamino]propanoate (PubChem CID 19801625) has the molecular formula C16H26NO5P and a molecular weight of 343.36 g/mol. Its IUPAC name is methyl 2-[[2-(diethoxyphosphorylmethyl)phenyl]methylamino]propanoate.

Molecular Properties

Compound Namemethyl 2-[[2-(diethoxyphosphorylmethyl)phenyl]methylamino]propanoate
PubChem CID19801625
Molecular FormulaC16H26NO5P
Molecular Weight343.36 g/mol
Exact Mass343.15
IUPAC Namemethyl 2-[[2-(diethoxyphosphorylmethyl)phenyl]methylamino]propanoate
SMILESCCOP(=O)(Cc1ccccc1CNC(C)C(=O)OC)OCC
InChIInChI=1S/C16H26NO5P/c1-5-21-23(19,22-6-2)12-15-10-8-7-9-14(15)11-17-13(3)16(18)20-4/h7-10,13,17H,5-6,11-12H2,1-4H3
InChIKeyUJRQBQWRMHBHRM-UHFFFAOYSA-N
XLogP3.10
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl 2-[[2-(diethoxyphosphorylmethyl)phenyl]methylamino]propanoate 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

methyl (2S)-2-[(2-hydroxyphenyl)methylamino]propanoate
CID 43723616
ethyl 2-[(2-ethylphenyl)methylamino]propanoate
CID 62391416
methyl 2-[[2-[(dimethylamino)methyl]phenyl]methylamino]propanoate
CID 66172279
methyl 2-[(2-bromophenyl)methylamino]propanoate
CID 60691069
methyl (2R)-2-[[2-(dimethoxymethyl)phenyl]methylamino]propanoate
CID 142473435
methyl (2S)-2-[(2-propan-2-yloxyphenyl)methylamino]propanoate
CID 43786699
methyl 2-[(3-ethoxy-2-hydroxyphenyl)methylamino]propanoate
CID 60780617
methyl 2-[[(1-ethoxy-1-oxopropan-2-yl)amino]methyl]benzoate
CID 61498557
methyl 2-[[2-(difluoromethoxy)phenyl]methylamino]propanoate
CID 60780590
ethyl 2-[(2-propan-2-ylphenyl)methylamino]propanoate
CID 171060467
methyl 2-[[(E)-4-diethoxyphosphorylbut-2-enyl]amino]propanoate
CID 19801597
ethane;methyl 2-(benzylamino)propanoate
CID 91349755

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(diethoxyphosphorylmethyl)phenyl]methylamino]propanoate?
The IUPAC name of methyl 2-[[2-(diethoxyphosphorylmethyl)phenyl]methylamino]propanoate (CID 19801625) is methyl 2-[[2-(diethoxyphosphorylmethyl)phenyl]methylamino]propanoate.
What is the SMILES notation for methyl 2-[[2-(diethoxyphosphorylmethyl)phenyl]methylamino]propanoate?
The canonical SMILES for methyl 2-[[2-(diethoxyphosphorylmethyl)phenyl]methylamino]propanoate is CCOP(=O)(Cc1ccccc1CNC(C)C(=O)OC)OCC.
What is the InChIKey of methyl 2-[[2-(diethoxyphosphorylmethyl)phenyl]methylamino]propanoate?
The InChIKey is UJRQBQWRMHBHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26NO5P/c1-5-21-23(19,22-6-2)12-15-10-8-7-9-14(15)11-17-13(3)16(18)20-4/h7-10,13,17H,5-6,11-12H2,1-4H3.
What are the key properties of methyl 2-[[2-(diethoxyphosphorylmethyl)phenyl]methylamino]propanoate?
methyl 2-[[2-(diethoxyphosphorylmethyl)phenyl]methylamino]propanoate has a molecular weight of 343.36 g/mol, XLogP of 3.10, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(diethoxyphosphorylmethyl)phenyl]methylamino]propanoate is sourced from PubChem (CID 19801625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).