ethane;propan-2-yl (2R)-2-[[methyl(phenoxy)phosphanyl]amino]propanoate

C15H26NO3P — CID 144948822

IUPACethane;propan-2-yl (2R)-2-[[methyl(phenoxy)phosphanyl]amino]propanoate
SMILESCC.CC(C)OC(=O)[C@@H](C)NP(C)Oc1ccccc1
InChIInChI=1S/C13H20NO3P.C2H6/c1-10(2)16-13(15)11(3)14-18(4)17-12-8-6-5-7-9-12;1-2/h5-11,14H,1-4H3;1-2H3/t11-,18?;/m1./s1
InChIKeyWJWZAIVELWSUMG-QPSJMSKFSA-N
MW299.35 g/mol
LogP3.96
Rot. Bonds6

About ethane;propan-2-yl (2R)-2-[[methyl(phenoxy)phosphanyl]amino]propanoate

ethane;propan-2-yl (2R)-2-[[methyl(phenoxy)phosphanyl]amino]propanoate (PubChem CID 144948822) has the molecular formula C15H26NO3P and a molecular weight of 299.35 g/mol. Its IUPAC name is ethane;propan-2-yl (2R)-2-[[methyl(phenoxy)phosphanyl]amino]propanoate.

Molecular Properties

Compound Nameethane;propan-2-yl (2R)-2-[[methyl(phenoxy)phosphanyl]amino]propanoate
PubChem CID144948822
Molecular FormulaC15H26NO3P
Molecular Weight299.35 g/mol
Exact Mass299.17
IUPAC Nameethane;propan-2-yl (2R)-2-[[methyl(phenoxy)phosphanyl]amino]propanoate
SMILESCC.CC(C)OC(=O)[C@@H](C)NP(C)Oc1ccccc1
InChIInChI=1S/C13H20NO3P.C2H6/c1-10(2)16-13(15)11(3)14-18(4)17-12-8-6-5-7-9-12;1-2/h5-11,14H,1-4H3;1-2H3/t11-,18?;/m1./s1
InChIKeyWJWZAIVELWSUMG-QPSJMSKFSA-N
XLogP3.96
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 53.96
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

propan-2-yl 2-methyl-3-[[methyl(phenoxy)phosphanyl]amino]-3-sulfanylbutanoate
CID 144985293
methyl 2-[[chloro(phenoxy)phosphanyl]amino]propanoate
CID 123530665
propan-2-yl (2S)-2-(diphenoxyphosphorylamino)propanoate
CID 90392548
propan-2-yl 2-[[chloro-(4-chlorophenoxy)phosphanyl]amino]propanoate
CID 144828748
propan-2-yl 2-[[ethyl(phenoxy)phosphoryl]amino]propanoate
CID 123570379
propan-2-yl (2S)-2-[[methyl(phenoxy)phosphoryl]amino]propanoate
CID 58463507
propan-2-yl 2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate
CID 72578666
[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]phosphonous acid
CID 144985569
propan-2-yl (2S)-2-[[methoxy(phenoxy)phosphoryl]amino]propanoate
CID 90055745
propan-2-yl (2R)-2-[[(4-formyl-5-hydroxy-6-methyl-3-pyridinyl)methoxy-phenoxyphosphanyl]amino]propanoate
CID 168931450
propan-2-yl 2-[[phenoxy(propan-2-yloxymethyl)phosphoryl]amino]propanoate
CID 90440549
propan-2-yl (2S)-2-bromo-2-phenylacetate
CID 124636083

Frequently Asked Questions

What is the IUPAC name of ethane;propan-2-yl (2R)-2-[[methyl(phenoxy)phosphanyl]amino]propanoate?
The IUPAC name of ethane;propan-2-yl (2R)-2-[[methyl(phenoxy)phosphanyl]amino]propanoate (CID 144948822) is ethane;propan-2-yl (2R)-2-[[methyl(phenoxy)phosphanyl]amino]propanoate.
What is the SMILES notation for ethane;propan-2-yl (2R)-2-[[methyl(phenoxy)phosphanyl]amino]propanoate?
The canonical SMILES for ethane;propan-2-yl (2R)-2-[[methyl(phenoxy)phosphanyl]amino]propanoate is CC.CC(C)OC(=O)[C@@H](C)NP(C)Oc1ccccc1.
What is the InChIKey of ethane;propan-2-yl (2R)-2-[[methyl(phenoxy)phosphanyl]amino]propanoate?
The InChIKey is WJWZAIVELWSUMG-QPSJMSKFSA-N. The full InChI is InChI=1S/C13H20NO3P.C2H6/c1-10(2)16-13(15)11(3)14-18(4)17-12-8-6-5-7-9-12;1-2/h5-11,14H,1-4H3;1-2H3/t11-,18?;/m1./s1.
What are the key properties of ethane;propan-2-yl (2R)-2-[[methyl(phenoxy)phosphanyl]amino]propanoate?
ethane;propan-2-yl (2R)-2-[[methyl(phenoxy)phosphanyl]amino]propanoate has a molecular weight of 299.35 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;propan-2-yl (2R)-2-[[methyl(phenoxy)phosphanyl]amino]propanoate is sourced from PubChem (CID 144948822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).