ethyl (2R)-2-[[tert-butyl(phenoxy)phosphoryl]amino]propanoate

C15H24NO4P — CID 122527443

IUPACethyl (2R)-2-[[tert-butyl(phenoxy)phosphoryl]amino]propanoate
SMILESCCOC(=O)[C@@H](C)NP(=O)(Oc1ccccc1)C(C)(C)C
InChIInChI=1S/C15H24NO4P/c1-6-19-14(17)12(2)16-21(18,15(3,4)5)20-13-10-8-7-9-11-13/h7-12H,6H2,1-5H3,(H,16,18)/t12-,21?/m1/s1
InChIKeyQESPJTOVXOMKAN-FXADVQPWSA-N
MW313.33 g/mol
LogP3.60
Rot. Bonds6

About ethyl (2R)-2-[[tert-butyl(phenoxy)phosphoryl]amino]propanoate

ethyl (2R)-2-[[tert-butyl(phenoxy)phosphoryl]amino]propanoate (PubChem CID 122527443) has the molecular formula C15H24NO4P and a molecular weight of 313.33 g/mol. Its IUPAC name is ethyl (2R)-2-[[tert-butyl(phenoxy)phosphoryl]amino]propanoate.

Molecular Properties

Compound Nameethyl (2R)-2-[[tert-butyl(phenoxy)phosphoryl]amino]propanoate
PubChem CID122527443
Molecular FormulaC15H24NO4P
Molecular Weight313.33 g/mol
Exact Mass313.14
IUPAC Nameethyl (2R)-2-[[tert-butyl(phenoxy)phosphoryl]amino]propanoate
SMILESCCOC(=O)[C@@H](C)NP(=O)(Oc1ccccc1)C(C)(C)C
InChIInChI=1S/C15H24NO4P/c1-6-19-14(17)12(2)16-21(18,15(3,4)5)20-13-10-8-7-9-11-13/h7-12H,6H2,1-5H3,(H,16,18)/t12-,21?/m1/s1
InChIKeyQESPJTOVXOMKAN-FXADVQPWSA-N
XLogP3.60
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S)-1-ethoxy-1-oxopropan-2-yl]-phenoxyphosphonamidic acid
CID 141478072
ethyl 2-[[2-methylpropyl(phenoxy)phosphoryl]amino]propanoate
CID 134359855
ethyl (2R)-2-[[phenoxy(propan-2-yl)phosphinothioyl]amino]propanoate
CID 134165823
(2S)-N-[tert-butyl(phenoxy)phosphoryl]-3-propan-2-yloxybut-3-en-2-amine
CID 135258081
propan-2-yl (2S)-2-[[tert-butyl-(3-methylphenoxy)phosphoryl]amino]propanoate
CID 126647671
ethyl (2S)-2-[[phenoxy(phenylmethoxymethyl)phosphoryl]amino]propanoate
CID 131990521
[4-[[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]-phenoxyphosphoryl]oxyphenyl]-hydroxy-methylideneazanium
CID 157191496
propyl 2-[[(1-fluoro-2,2-dimethylpropyl)-phenoxyphosphoryl]amino]propanoate
CID 176768681
propan-2-yl (2S)-2-[[tert-butyl-(3-methoxyphenoxy)phosphoryl]amino]propanoate
CID 126647572
ethyl (2S)-2-[[[(2R)-1-(methylamino)propan-2-yl]oxymethyl-phenoxyphosphoryl]amino]propanoate
CID 71120514
2,2-dimethylpropyl (2S)-2-[[tert-butyl(naphthalen-1-yloxy)phosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[tert-butyl(phenoxy)phosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate
CID 160852821
methyl (2S)-2-[[2,2-dimethylpropyl(phenoxy)phosphoryl]amino]propanoate
CID 176807905

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-[[tert-butyl(phenoxy)phosphoryl]amino]propanoate?
The IUPAC name of ethyl (2R)-2-[[tert-butyl(phenoxy)phosphoryl]amino]propanoate (CID 122527443) is ethyl (2R)-2-[[tert-butyl(phenoxy)phosphoryl]amino]propanoate.
What is the SMILES notation for ethyl (2R)-2-[[tert-butyl(phenoxy)phosphoryl]amino]propanoate?
The canonical SMILES for ethyl (2R)-2-[[tert-butyl(phenoxy)phosphoryl]amino]propanoate is CCOC(=O)[C@@H](C)NP(=O)(Oc1ccccc1)C(C)(C)C.
What is the InChIKey of ethyl (2R)-2-[[tert-butyl(phenoxy)phosphoryl]amino]propanoate?
The InChIKey is QESPJTOVXOMKAN-FXADVQPWSA-N. The full InChI is InChI=1S/C15H24NO4P/c1-6-19-14(17)12(2)16-21(18,15(3,4)5)20-13-10-8-7-9-11-13/h7-12H,6H2,1-5H3,(H,16,18)/t12-,21?/m1/s1.
What are the key properties of ethyl (2R)-2-[[tert-butyl(phenoxy)phosphoryl]amino]propanoate?
ethyl (2R)-2-[[tert-butyl(phenoxy)phosphoryl]amino]propanoate has a molecular weight of 313.33 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-[[tert-butyl(phenoxy)phosphoryl]amino]propanoate is sourced from PubChem (CID 122527443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).