[(1-methoxy-1-oxopropan-2-yl)amino]phosphonic acid

C4H10NO5P — CID 174391031

IUPAC[(1-methoxy-1-oxopropan-2-yl)amino]phosphonic acid
SMILESCOC(=O)C(C)NP(=O)(O)O
InChIInChI=1S/C4H10NO5P/c1-3(4(6)10-2)5-11(7,8)9/h3H,1-2H3,(H3,5,7,8,9)
InChIKeyDOPBKVSKCGQNRT-UHFFFAOYSA-N
MW183.10 g/mol
LogP-0.77
Rot. Bonds3

About [(1-methoxy-1-oxopropan-2-yl)amino]phosphonic acid

[(1-methoxy-1-oxopropan-2-yl)amino]phosphonic acid (PubChem CID 174391031) has the molecular formula C4H10NO5P and a molecular weight of 183.10 g/mol. Its IUPAC name is [(1-methoxy-1-oxopropan-2-yl)amino]phosphonic acid.

Molecular Properties

Compound Name[(1-methoxy-1-oxopropan-2-yl)amino]phosphonic acid
PubChem CID174391031
Molecular FormulaC4H10NO5P
Molecular Weight183.10 g/mol
Exact Mass183.03
IUPAC Name[(1-methoxy-1-oxopropan-2-yl)amino]phosphonic acid
SMILESCOC(=O)C(C)NP(=O)(O)O
InChIInChI=1S/C4H10NO5P/c1-3(4(6)10-2)5-11(7,8)9/h3H,1-2H3,(H3,5,7,8,9)
InChIKeyDOPBKVSKCGQNRT-UHFFFAOYSA-N
XLogP-0.77
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.10
LogP ≤ 5-0.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl (2R)-2-(dichlorophosphinothioylamino)propanoate
CID 10868283
methyl (2S)-2-[[[[(2S)-1-methoxy-1-oxopropan-2-yl]-methylamino]-methylphosphoryl]amino]propanoate
CID 154954484
methyl 2-[[chloro(propan-2-yloxy)phosphinothioyl]amino]propanoate
CID 15539826
(1-methoxy-1-oxopropan-2-yl)-methylphosphinic acid
CID 19875564
propan-2-yl 2-[[chloro(methoxy)phosphoryl]amino]propanoate
CID 174884587
methyl (2S)-2-(fluoroamino)propanoate
CID 141384142
2-[2-(phosphonoamino)propanoylamino]propanoic acid
CID 20550671
propan-2-yl (2S)-2-[[chloro-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]phosphoryl]amino]propanoate
CID 87153753
(propan-2-ylamino)phosphonic acid;hydrochloride
CID 174838389
methyl (2R)-2-acetamidopropanoate
CID 6951031
[3-aminopropyl-(1-methoxy-1-oxopropan-2-yl)amino]oxy-N-(1-methoxy-1-oxopropan-2-yl)phosphonamidic acid
CID 89155731
methyl (2S)-2-[[[(E)-5-hydroxy-4-methylpent-3-enyl]-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]phosphoryl]amino]propanoate
CID 172578385

Frequently Asked Questions

What is the IUPAC name of [(1-methoxy-1-oxopropan-2-yl)amino]phosphonic acid?
The IUPAC name of [(1-methoxy-1-oxopropan-2-yl)amino]phosphonic acid (CID 174391031) is [(1-methoxy-1-oxopropan-2-yl)amino]phosphonic acid.
What is the SMILES notation for [(1-methoxy-1-oxopropan-2-yl)amino]phosphonic acid?
The canonical SMILES for [(1-methoxy-1-oxopropan-2-yl)amino]phosphonic acid is COC(=O)C(C)NP(=O)(O)O.
What is the InChIKey of [(1-methoxy-1-oxopropan-2-yl)amino]phosphonic acid?
The InChIKey is DOPBKVSKCGQNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10NO5P/c1-3(4(6)10-2)5-11(7,8)9/h3H,1-2H3,(H3,5,7,8,9).
What are the key properties of [(1-methoxy-1-oxopropan-2-yl)amino]phosphonic acid?
[(1-methoxy-1-oxopropan-2-yl)amino]phosphonic acid has a molecular weight of 183.10 g/mol, XLogP of -0.77, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1-methoxy-1-oxopropan-2-yl)amino]phosphonic acid is sourced from PubChem (CID 174391031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).