methoxy-N-(1-methoxy-1-oxopropan-2-yl)phosphonamidic acid

C5H12NO5P — CID 23297966

IUPACmethoxy-N-(1-methoxy-1-oxopropan-2-yl)phosphonamidic acid
SMILESCOC(=O)C(C)NP(=O)(O)OC
InChIInChI=1S/C5H12NO5P/c1-4(5(7)10-2)6-12(8,9)11-3/h4H,1-3H3,(H2,6,8,9)
InChIKeyJPXFLHWWYRLUKM-UHFFFAOYSA-N
MW197.13 g/mol
LogP-0.12
Rot. Bonds4

About methoxy-N-(1-methoxy-1-oxopropan-2-yl)phosphonamidic acid

methoxy-N-(1-methoxy-1-oxopropan-2-yl)phosphonamidic acid (PubChem CID 23297966) has the molecular formula C5H12NO5P and a molecular weight of 197.13 g/mol. Its IUPAC name is methoxy-N-(1-methoxy-1-oxopropan-2-yl)phosphonamidic acid.

Molecular Properties

Compound Namemethoxy-N-(1-methoxy-1-oxopropan-2-yl)phosphonamidic acid
PubChem CID23297966
Molecular FormulaC5H12NO5P
Molecular Weight197.13 g/mol
Exact Mass197.05
IUPAC Namemethoxy-N-(1-methoxy-1-oxopropan-2-yl)phosphonamidic acid
SMILESCOC(=O)C(C)NP(=O)(O)OC
InChIInChI=1S/C5H12NO5P/c1-4(5(7)10-2)6-12(8,9)11-3/h4H,1-3H3,(H2,6,8,9)
InChIKeyJPXFLHWWYRLUKM-UHFFFAOYSA-N
XLogP-0.12
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.13
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

D-Alanine, anhydride with phosphoric acid (1:1)
CID 195578
Methyl 2-amino-4-dimethoxyphosphorylbutanoate
CID 57340084
(3-Amino-4-methoxy-4-oxobutyl)-methoxyphosphinic acid
CID 57340085
Methyl 2-amino-4-[amino(methoxy)phosphoryl]butanoate
CID 57340087
Phosphono 2-aminopropanoate
CID 17903691
phosphono (2S)-2-(methoxyamino)propanoate
CID 21349700
phosphono (2S)-2-aminopropanoate
CID 53885856
[(1-Ethoxy-1-oxopropan-2-yl)amino]-oxo-(2,2,2-trifluoroethoxy)phosphanium
CID 117608290
(3-Amino-4-methoxy-4-oxobutyl)(methyl)phosphinic acid
CID 20035181
bis[[(2S)-2-aminopropanoyl]oxy]-oxophosphanium
CID 91574079
O-phospho-l-homoserine methyl ester
CID 129661868
methyl (2S)-2-(dimethoxyphosphorylamino)propanoate
CID 176436822

Frequently Asked Questions

What is the IUPAC name of methoxy-N-(1-methoxy-1-oxopropan-2-yl)phosphonamidic acid?
The IUPAC name of methoxy-N-(1-methoxy-1-oxopropan-2-yl)phosphonamidic acid (CID 23297966) is methoxy-N-(1-methoxy-1-oxopropan-2-yl)phosphonamidic acid.
What is the SMILES notation for methoxy-N-(1-methoxy-1-oxopropan-2-yl)phosphonamidic acid?
The canonical SMILES for methoxy-N-(1-methoxy-1-oxopropan-2-yl)phosphonamidic acid is COC(=O)C(C)NP(=O)(O)OC.
What is the InChIKey of methoxy-N-(1-methoxy-1-oxopropan-2-yl)phosphonamidic acid?
The InChIKey is JPXFLHWWYRLUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12NO5P/c1-4(5(7)10-2)6-12(8,9)11-3/h4H,1-3H3,(H2,6,8,9).
What are the key properties of methoxy-N-(1-methoxy-1-oxopropan-2-yl)phosphonamidic acid?
methoxy-N-(1-methoxy-1-oxopropan-2-yl)phosphonamidic acid has a molecular weight of 197.13 g/mol, XLogP of -0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy-N-(1-methoxy-1-oxopropan-2-yl)phosphonamidic acid is sourced from PubChem (CID 23297966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).