methyl (2R)-4-methyl-2-[[methyl(phenyl)phosphoryl]amino]pentanoate

C14H22NO3P — CID 10636698

IUPACmethyl (2R)-4-methyl-2-[[methyl(phenyl)phosphoryl]amino]pentanoate
SMILESCOC(=O)[C@@H](CC(C)C)N[P@](C)(=O)c1ccccc1
InChIInChI=1S/C14H22NO3P/c1-11(2)10-13(14(16)18-3)15-19(4,17)12-8-6-5-7-9-12/h5-9,11,13H,10H2,1-4H3,(H,15,17)/t13-,19-/m1/s1
InChIKeyFKJSXPOVNNAAMJ-BFUOFWGJSA-N
MW283.31 g/mol
LogP2.40
Rot. Bonds6

About methyl (2R)-4-methyl-2-[[methyl(phenyl)phosphoryl]amino]pentanoate

methyl (2R)-4-methyl-2-[[methyl(phenyl)phosphoryl]amino]pentanoate (PubChem CID 10636698) has the molecular formula C14H22NO3P and a molecular weight of 283.31 g/mol. Its IUPAC name is methyl (2R)-4-methyl-2-[[methyl(phenyl)phosphoryl]amino]pentanoate.

Molecular Properties

Compound Namemethyl (2R)-4-methyl-2-[[methyl(phenyl)phosphoryl]amino]pentanoate
PubChem CID10636698
Molecular FormulaC14H22NO3P
Molecular Weight283.31 g/mol
Exact Mass283.13
IUPAC Namemethyl (2R)-4-methyl-2-[[methyl(phenyl)phosphoryl]amino]pentanoate
SMILESCOC(=O)[C@@H](CC(C)C)N[P@](C)(=O)c1ccccc1
InChIInChI=1S/C14H22NO3P/c1-11(2)10-13(14(16)18-3)15-19(4,17)12-8-6-5-7-9-12/h5-9,11,13H,10H2,1-4H3,(H,15,17)/t13-,19-/m1/s1
InChIKeyFKJSXPOVNNAAMJ-BFUOFWGJSA-N
XLogP2.40
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-4-methyl-2-[[methyl(phenyl)phosphoryl]amino]pentanoate?
The IUPAC name of methyl (2R)-4-methyl-2-[[methyl(phenyl)phosphoryl]amino]pentanoate (CID 10636698) is methyl (2R)-4-methyl-2-[[methyl(phenyl)phosphoryl]amino]pentanoate.
What is the SMILES notation for methyl (2R)-4-methyl-2-[[methyl(phenyl)phosphoryl]amino]pentanoate?
The canonical SMILES for methyl (2R)-4-methyl-2-[[methyl(phenyl)phosphoryl]amino]pentanoate is COC(=O)[C@@H](CC(C)C)N[P@](C)(=O)c1ccccc1.
What is the InChIKey of methyl (2R)-4-methyl-2-[[methyl(phenyl)phosphoryl]amino]pentanoate?
The InChIKey is FKJSXPOVNNAAMJ-BFUOFWGJSA-N. The full InChI is InChI=1S/C14H22NO3P/c1-11(2)10-13(14(16)18-3)15-19(4,17)12-8-6-5-7-9-12/h5-9,11,13H,10H2,1-4H3,(H,15,17)/t13-,19-/m1/s1.
What are the key properties of methyl (2R)-4-methyl-2-[[methyl(phenyl)phosphoryl]amino]pentanoate?
methyl (2R)-4-methyl-2-[[methyl(phenyl)phosphoryl]amino]pentanoate has a molecular weight of 283.31 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-4-methyl-2-[[methyl(phenyl)phosphoryl]amino]pentanoate is sourced from PubChem (CID 10636698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).