methyl (2S)-2-[[[[(2S)-1-methoxy-1-oxopropan-2-yl]-methylamino]-methylphosphoryl]amino]propanoate

C10H21N2O5P — CID 154954484

IUPACmethyl (2S)-2-[[[[(2S)-1-methoxy-1-oxopropan-2-yl]-methylamino]-methylphosphoryl]amino]propanoate
SMILESCOC(=O)[C@H](C)NP(C)(=O)N(C)[C@@H](C)C(=O)OC
InChIInChI=1S/C10H21N2O5P/c1-7(9(13)16-4)11-18(6,15)12(3)8(2)10(14)17-5/h7-8H,1-6H3,(H,11,15)/t7-,8-,18?/m0/s1
InChIKeyXROUUZPZXMNGLF-NKJDGPMTSA-N
MW280.26 g/mol
LogP0.45
Rot. Bonds6

About methyl (2S)-2-[[[[(2S)-1-methoxy-1-oxopropan-2-yl]-methylamino]-methylphosphoryl]amino]propanoate

methyl (2S)-2-[[[[(2S)-1-methoxy-1-oxopropan-2-yl]-methylamino]-methylphosphoryl]amino]propanoate (PubChem CID 154954484) has the molecular formula C10H21N2O5P and a molecular weight of 280.26 g/mol. Its IUPAC name is methyl (2S)-2-[[[[(2S)-1-methoxy-1-oxopropan-2-yl]-methylamino]-methylphosphoryl]amino]propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[[[[(2S)-1-methoxy-1-oxopropan-2-yl]-methylamino]-methylphosphoryl]amino]propanoate
PubChem CID154954484
Molecular FormulaC10H21N2O5P
Molecular Weight280.26 g/mol
Exact Mass280.12
IUPAC Namemethyl (2S)-2-[[[[(2S)-1-methoxy-1-oxopropan-2-yl]-methylamino]-methylphosphoryl]amino]propanoate
SMILESCOC(=O)[C@H](C)NP(C)(=O)N(C)[C@@H](C)C(=O)OC
InChIInChI=1S/C10H21N2O5P/c1-7(9(13)16-4)11-18(6,15)12(3)8(2)10(14)17-5/h7-8H,1-6H3,(H,11,15)/t7-,8-,18?/m0/s1
InChIKeyXROUUZPZXMNGLF-NKJDGPMTSA-N
XLogP0.45
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.26
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl (2S)-2-[[[[(2S)-1-methoxy-1-oxopropan-2-yl]-methylamino]-methylphosphoryl]amino]propanoate with MolForge

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Related Compounds

[(1-methoxy-1-oxopropan-2-yl)amino]phosphonic acid
CID 174391031
methyl 2-[bis(aziridin-1-yl)phosphoryl-methylamino]propanoate
CID 10263983
methyl (2R)-2-(dimethylamino)propanoate
CID 30030726
[3-aminopropyl-(1-methoxy-1-oxopropan-2-yl)amino]oxy-N-(1-methoxy-1-oxopropan-2-yl)phosphonamidic acid
CID 89155731
methyl (2R)-2-(dichlorophosphinothioylamino)propanoate
CID 10868283
methyl (2S)-2-(fluoroamino)propanoate
CID 141384142
methyl 2-[2-aminopropanoyl(methyl)amino]propanoate
CID 18723921
methyl 2-[[chloro(propan-2-yloxy)phosphinothioyl]amino]propanoate
CID 15539826
(1-methoxy-1-oxopropan-2-yl)-methylphosphinic acid
CID 19875564
methyl 2-[carbamoyl(nitroso)amino]propanoate
CID 21122077
dimethyl 2-methyl-3-oxopentanedioate
CID 10943223
methyl (2S)-2-[[2-[acetyl(methyl)amino]acetyl]amino]propanoate
CID 56817538

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[[[[(2S)-1-methoxy-1-oxopropan-2-yl]-methylamino]-methylphosphoryl]amino]propanoate?
The IUPAC name of methyl (2S)-2-[[[[(2S)-1-methoxy-1-oxopropan-2-yl]-methylamino]-methylphosphoryl]amino]propanoate (CID 154954484) is methyl (2S)-2-[[[[(2S)-1-methoxy-1-oxopropan-2-yl]-methylamino]-methylphosphoryl]amino]propanoate.
What is the SMILES notation for methyl (2S)-2-[[[[(2S)-1-methoxy-1-oxopropan-2-yl]-methylamino]-methylphosphoryl]amino]propanoate?
The canonical SMILES for methyl (2S)-2-[[[[(2S)-1-methoxy-1-oxopropan-2-yl]-methylamino]-methylphosphoryl]amino]propanoate is COC(=O)[C@H](C)NP(C)(=O)N(C)[C@@H](C)C(=O)OC.
What is the InChIKey of methyl (2S)-2-[[[[(2S)-1-methoxy-1-oxopropan-2-yl]-methylamino]-methylphosphoryl]amino]propanoate?
The InChIKey is XROUUZPZXMNGLF-NKJDGPMTSA-N. The full InChI is InChI=1S/C10H21N2O5P/c1-7(9(13)16-4)11-18(6,15)12(3)8(2)10(14)17-5/h7-8H,1-6H3,(H,11,15)/t7-,8-,18?/m0/s1.
What are the key properties of methyl (2S)-2-[[[[(2S)-1-methoxy-1-oxopropan-2-yl]-methylamino]-methylphosphoryl]amino]propanoate?
methyl (2S)-2-[[[[(2S)-1-methoxy-1-oxopropan-2-yl]-methylamino]-methylphosphoryl]amino]propanoate has a molecular weight of 280.26 g/mol, XLogP of 0.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[[[[(2S)-1-methoxy-1-oxopropan-2-yl]-methylamino]-methylphosphoryl]amino]propanoate is sourced from PubChem (CID 154954484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).