methyl (2R)-2-[benzyl-[methyl(phenyl)phosphoryl]amino]propanoate

C18H22NO3P — CID 10496711

IUPACmethyl (2R)-2-[benzyl-[methyl(phenyl)phosphoryl]amino]propanoate
SMILESCOC(=O)[C@@H](C)N(Cc1ccccc1)[P@](C)(=O)c1ccccc1
InChIInChI=1S/C18H22NO3P/c1-15(18(20)22-2)19(14-16-10-6-4-7-11-16)23(3,21)17-12-8-5-9-13-17/h4-13,15H,14H2,1-3H3/t15-,23-/m1/s1
InChIKeyYDKQLQDGTLQCPA-IQMFZBJNSA-N
MW331.35 g/mol
LogP3.28
Rot. Bonds6

About methyl (2R)-2-[benzyl-[methyl(phenyl)phosphoryl]amino]propanoate

methyl (2R)-2-[benzyl-[methyl(phenyl)phosphoryl]amino]propanoate (PubChem CID 10496711) has the molecular formula C18H22NO3P and a molecular weight of 331.35 g/mol. Its IUPAC name is methyl (2R)-2-[benzyl-[methyl(phenyl)phosphoryl]amino]propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[benzyl-[methyl(phenyl)phosphoryl]amino]propanoate
PubChem CID10496711
Molecular FormulaC18H22NO3P
Molecular Weight331.35 g/mol
Exact Mass331.13
IUPAC Namemethyl (2R)-2-[benzyl-[methyl(phenyl)phosphoryl]amino]propanoate
SMILESCOC(=O)[C@@H](C)N(Cc1ccccc1)[P@](C)(=O)c1ccccc1
InChIInChI=1S/C18H22NO3P/c1-15(18(20)22-2)19(14-16-10-6-4-7-11-16)23(3,21)17-12-8-5-9-13-17/h4-13,15H,14H2,1-3H3/t15-,23-/m1/s1
InChIKeyYDKQLQDGTLQCPA-IQMFZBJNSA-N
XLogP3.28
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl (2R)-2-[benzyl-[methyl(phenyl)phosphoryl]amino]propanoate 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 methyl (2R)-2-[benzyl-[methyl(phenyl)phosphoryl]amino]propanoate?
The IUPAC name of methyl (2R)-2-[benzyl-[methyl(phenyl)phosphoryl]amino]propanoate (CID 10496711) is methyl (2R)-2-[benzyl-[methyl(phenyl)phosphoryl]amino]propanoate.
What is the SMILES notation for methyl (2R)-2-[benzyl-[methyl(phenyl)phosphoryl]amino]propanoate?
The canonical SMILES for methyl (2R)-2-[benzyl-[methyl(phenyl)phosphoryl]amino]propanoate is COC(=O)[C@@H](C)N(Cc1ccccc1)[P@](C)(=O)c1ccccc1.
What is the InChIKey of methyl (2R)-2-[benzyl-[methyl(phenyl)phosphoryl]amino]propanoate?
The InChIKey is YDKQLQDGTLQCPA-IQMFZBJNSA-N. The full InChI is InChI=1S/C18H22NO3P/c1-15(18(20)22-2)19(14-16-10-6-4-7-11-16)23(3,21)17-12-8-5-9-13-17/h4-13,15H,14H2,1-3H3/t15-,23-/m1/s1.
What are the key properties of methyl (2R)-2-[benzyl-[methyl(phenyl)phosphoryl]amino]propanoate?
methyl (2R)-2-[benzyl-[methyl(phenyl)phosphoryl]amino]propanoate has a molecular weight of 331.35 g/mol, XLogP of 3.28, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[benzyl-[methyl(phenyl)phosphoryl]amino]propanoate is sourced from PubChem (CID 10496711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).