ethyl 2-[[2-methylpropyl(phenoxy)phosphoryl]amino]propanoate

C15H24NO4P — CID 134359855

IUPACethyl 2-[[2-methylpropyl(phenoxy)phosphoryl]amino]propanoate
SMILESCCOC(=O)C(C)NP(=O)(CC(C)C)Oc1ccccc1
InChIInChI=1S/C15H24NO4P/c1-5-19-15(17)13(4)16-21(18,11-12(2)3)20-14-9-7-6-8-10-14/h6-10,12-13H,5,11H2,1-4H3,(H,16,18)
InChIKeyKMSSAXXAUWLOHQ-UHFFFAOYSA-N
MW313.33 g/mol
LogP3.46
Rot. Bonds8

About ethyl 2-[[2-methylpropyl(phenoxy)phosphoryl]amino]propanoate

ethyl 2-[[2-methylpropyl(phenoxy)phosphoryl]amino]propanoate (PubChem CID 134359855) has the molecular formula C15H24NO4P and a molecular weight of 313.33 g/mol. Its IUPAC name is ethyl 2-[[2-methylpropyl(phenoxy)phosphoryl]amino]propanoate.

Molecular Properties

Compound Nameethyl 2-[[2-methylpropyl(phenoxy)phosphoryl]amino]propanoate
PubChem CID134359855
Molecular FormulaC15H24NO4P
Molecular Weight313.33 g/mol
Exact Mass313.14
IUPAC Nameethyl 2-[[2-methylpropyl(phenoxy)phosphoryl]amino]propanoate
SMILESCCOC(=O)C(C)NP(=O)(CC(C)C)Oc1ccccc1
InChIInChI=1S/C15H24NO4P/c1-5-19-15(17)13(4)16-21(18,11-12(2)3)20-14-9-7-6-8-10-14/h6-10,12-13H,5,11H2,1-4H3,(H,16,18)
InChIKeyKMSSAXXAUWLOHQ-UHFFFAOYSA-N
XLogP3.46
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 53.46
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 (2S)-2-[[phenoxy(phenylmethoxymethyl)phosphoryl]amino]propanoate
CID 131990521
ethyl (2S)-2-[[[(2R)-1-(methylamino)propan-2-yl]oxymethyl-phenoxyphosphoryl]amino]propanoate
CID 71120514
ethyl (2R)-2-[[tert-butyl(phenoxy)phosphoryl]amino]propanoate
CID 122527443
ethyl (2R)-2-[[phenoxy(propan-2-yl)phosphinothioyl]amino]propanoate
CID 134165823
propan-2-yl 2-[[ethyl(phenoxy)phosphoryl]amino]propanoate
CID 123570379
methyl (2S)-2-[[2,2-dimethylpropyl(phenoxy)phosphoryl]amino]propanoate
CID 176807905
ethyl (2S)-2-[[phenoxy-[3-(phenylmethoxycarbonylamino)propyl]phosphoryl]amino]propanoate
CID 71121798
[4-[[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]-phenoxyphosphoryl]oxyphenyl]-hydroxy-methylideneazanium
CID 157191496
propan-2-yl 2-[[phenoxy(propan-2-yloxymethyl)phosphoryl]amino]propanoate
CID 90440549
ethyl (2S)-2-[[phenoxy-[[4-[[(4R,5S,6S,7R)-1,3,7-tribenzyl-5,6-dihydroxy-2-oxo-1,3-diazepan-4-yl]methyl]phenoxy]methyl]phosphoryl]amino]propanoate
CID 59132384
heptadecyl (2S)-2-[[chloro(phenoxy)phosphoryl]amino]propanoate
CID 168741486

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-methylpropyl(phenoxy)phosphoryl]amino]propanoate?
The IUPAC name of ethyl 2-[[2-methylpropyl(phenoxy)phosphoryl]amino]propanoate (CID 134359855) is ethyl 2-[[2-methylpropyl(phenoxy)phosphoryl]amino]propanoate.
What is the SMILES notation for ethyl 2-[[2-methylpropyl(phenoxy)phosphoryl]amino]propanoate?
The canonical SMILES for ethyl 2-[[2-methylpropyl(phenoxy)phosphoryl]amino]propanoate is CCOC(=O)C(C)NP(=O)(CC(C)C)Oc1ccccc1.
What is the InChIKey of ethyl 2-[[2-methylpropyl(phenoxy)phosphoryl]amino]propanoate?
The InChIKey is KMSSAXXAUWLOHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24NO4P/c1-5-19-15(17)13(4)16-21(18,11-12(2)3)20-14-9-7-6-8-10-14/h6-10,12-13H,5,11H2,1-4H3,(H,16,18).
What are the key properties of ethyl 2-[[2-methylpropyl(phenoxy)phosphoryl]amino]propanoate?
ethyl 2-[[2-methylpropyl(phenoxy)phosphoryl]amino]propanoate has a molecular weight of 313.33 g/mol, XLogP of 3.46, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-methylpropyl(phenoxy)phosphoryl]amino]propanoate is sourced from PubChem (CID 134359855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).