propan-2-yl (2S)-2-[[1-aminoethoxy(methoxymethyl)phosphoryl]amino]propanoate

C10H23N2O5P — CID 170045491

IUPACpropan-2-yl (2S)-2-[[1-aminoethoxy(methoxymethyl)phosphoryl]amino]propanoate
SMILESCOCP(=O)(N[C@@H](C)C(=O)OC(C)C)OC(C)N
InChIInChI=1S/C10H23N2O5P/c1-7(2)16-10(13)8(3)12-18(14,6-15-5)17-9(4)11/h7-9H,6,11H2,1-5H3,(H,12,14)/t8-,9?,18?/m0/s1
InChIKeyKWYWMIDYBWOEMC-AMSAKSMPSA-N
MW282.28 g/mol
LogP1.03
Rot. Bonds8

About propan-2-yl (2S)-2-[[1-aminoethoxy(methoxymethyl)phosphoryl]amino]propanoate

propan-2-yl (2S)-2-[[1-aminoethoxy(methoxymethyl)phosphoryl]amino]propanoate (PubChem CID 170045491) has the molecular formula C10H23N2O5P and a molecular weight of 282.28 g/mol. Its IUPAC name is propan-2-yl (2S)-2-[[1-aminoethoxy(methoxymethyl)phosphoryl]amino]propanoate.

Molecular Properties

Compound Namepropan-2-yl (2S)-2-[[1-aminoethoxy(methoxymethyl)phosphoryl]amino]propanoate
PubChem CID170045491
Molecular FormulaC10H23N2O5P
Molecular Weight282.28 g/mol
Exact Mass282.13
IUPAC Namepropan-2-yl (2S)-2-[[1-aminoethoxy(methoxymethyl)phosphoryl]amino]propanoate
SMILESCOCP(=O)(N[C@@H](C)C(=O)OC(C)C)OC(C)N
InChIInChI=1S/C10H23N2O5P/c1-7(2)16-10(13)8(3)12-18(14,6-15-5)17-9(4)11/h7-9H,6,11H2,1-5H3,(H,12,14)/t8-,9?,18?/m0/s1
InChIKeyKWYWMIDYBWOEMC-AMSAKSMPSA-N
XLogP1.03
TPSA99.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.28
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

propan-2-yl (2S)-2-[[methoxymethyl-(4-nitrophenoxy)phosphoryl]amino]propanoate
CID 156635379
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CID 87153753
propan-2-yl 2-[[chloro(methoxy)phosphoryl]amino]propanoate
CID 174884587
propan-2-yl 2-[[phenoxy(propan-2-yloxymethyl)phosphoryl]amino]propanoate
CID 90440549
propan-2-yl (2S)-2-[[[3-hydroxy-5-[(E)-2-(4-hydroxyphenyl)ethenyl]phenoxy]-(methoxymethyl)phosphoryl]amino]propanoate
CID 130300862
propan-2-yl (2R)-2-(dimethylphosphinothioylamino)propanoate
CID 167499810
propan-2-yl (2S)-2-[[[2-butan-2-yl-6-[(1R)-1-cyclopropylethyl]phenoxy]-(methoxymethyl)phosphoryl]amino]propanoate
CID 130324027
propan-2-yl 2-[[ethyl(phenoxy)phosphoryl]amino]propanoate
CID 123570379
propan-2-yl 2-[[3-methylbutan-2-yloxymethyl(phenoxy)phosphoryl]amino]propanoate
CID 118967597
propan-2-yl (2S)-2-[[methoxymethyl-(2-oxopiperidin-1-yl)phosphoryl]amino]propanoate
CID 130324120
propan-2-yl (2S)-2-[[[2-[(1R)-1-cyclopropylethyl]-4-[3-[(1R)-1-cyclopropylethyl]-4-hydroxy-5-propan-2-ylphenyl]-6-propan-2-ylphenoxy]-(methoxymethyl)phosphoryl]amino]propanoate
CID 130300917
propan-2-yl (2S)-2-[[methoxymethyl(pyridin-2-ylsulfanyl)phosphoryl]amino]propanoate
CID 130324452

Frequently Asked Questions

What is the IUPAC name of propan-2-yl (2S)-2-[[1-aminoethoxy(methoxymethyl)phosphoryl]amino]propanoate?
The IUPAC name of propan-2-yl (2S)-2-[[1-aminoethoxy(methoxymethyl)phosphoryl]amino]propanoate (CID 170045491) is propan-2-yl (2S)-2-[[1-aminoethoxy(methoxymethyl)phosphoryl]amino]propanoate.
What is the SMILES notation for propan-2-yl (2S)-2-[[1-aminoethoxy(methoxymethyl)phosphoryl]amino]propanoate?
The canonical SMILES for propan-2-yl (2S)-2-[[1-aminoethoxy(methoxymethyl)phosphoryl]amino]propanoate is COCP(=O)(N[C@@H](C)C(=O)OC(C)C)OC(C)N.
What is the InChIKey of propan-2-yl (2S)-2-[[1-aminoethoxy(methoxymethyl)phosphoryl]amino]propanoate?
The InChIKey is KWYWMIDYBWOEMC-AMSAKSMPSA-N. The full InChI is InChI=1S/C10H23N2O5P/c1-7(2)16-10(13)8(3)12-18(14,6-15-5)17-9(4)11/h7-9H,6,11H2,1-5H3,(H,12,14)/t8-,9?,18?/m0/s1.
What are the key properties of propan-2-yl (2S)-2-[[1-aminoethoxy(methoxymethyl)phosphoryl]amino]propanoate?
propan-2-yl (2S)-2-[[1-aminoethoxy(methoxymethyl)phosphoryl]amino]propanoate has a molecular weight of 282.28 g/mol, XLogP of 1.03, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (2S)-2-[[1-aminoethoxy(methoxymethyl)phosphoryl]amino]propanoate is sourced from PubChem (CID 170045491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).