2-amino-3-[methoxy(methyl)phosphoryl]oxypropanoic acid

C5H12NO5P — CID 126576977

IUPAC2-amino-3-[methoxy(methyl)phosphoryl]oxypropanoic acid
SMILESCOP(C)(=O)OCC(N)C(=O)O
InChIInChI=1S/C5H12NO5P/c1-10-12(2,9)11-3-4(6)5(7)8/h4H,3,6H2,1-2H3,(H,7,8)
InChIKeyOOOUDKJYXSACHB-UHFFFAOYSA-N
MW197.13 g/mol
LogP-0.12
Rot. Bonds5

About 2-amino-3-[methoxy(methyl)phosphoryl]oxypropanoic acid

2-amino-3-[methoxy(methyl)phosphoryl]oxypropanoic acid (PubChem CID 126576977) has the molecular formula C5H12NO5P and a molecular weight of 197.13 g/mol. Its IUPAC name is 2-amino-3-[methoxy(methyl)phosphoryl]oxypropanoic acid.

Molecular Properties

Compound Name2-amino-3-[methoxy(methyl)phosphoryl]oxypropanoic acid
PubChem CID126576977
Molecular FormulaC5H12NO5P
Molecular Weight197.13 g/mol
Exact Mass197.05
IUPAC Name2-amino-3-[methoxy(methyl)phosphoryl]oxypropanoic acid
SMILESCOP(C)(=O)OCC(N)C(=O)O
InChIInChI=1S/C5H12NO5P/c1-10-12(2,9)11-3-4(6)5(7)8/h4H,3,6H2,1-2H3,(H,7,8)
InChIKeyOOOUDKJYXSACHB-UHFFFAOYSA-N
XLogP-0.12
TPSA98.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
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 ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-(2-methoxyethoxy)propanoic acid
CID 20596399
(2S)-2-amino-3-phosphonooxypropanoic acid;propane-1,2,3-triol
CID 160724089
2-amino-4-dimethoxyphosphorylbutanoic acid
CID 14607816
(2S)-2-amino-3-[(2R)-2-amino-2-carboxyethoxy]propanoic acid
CID 118658592
(2S)-3-acetyloxy-2-aminopropanoic acid
CID 88545588
2-amino-3-[(2-ethyl-3-methylbutoxy)-hydroxyphosphoryl]oxypropanoic acid;methane
CID 162254228
2-amino-5-[hydroxy(methoxy)phosphoryl]pentanoic acid
CID 118218579
(2S)-2-amino-3-(2-methylprop-2-enoyloxy)propanoic acid
CID 24812035
(2S)-2-amino-3-[hydroxy-[(2R,3R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropanoic acid
CID 102506300
2-amino-3-[ethyl(dimethyl)-λ4-sulfanyl]oxypropanoic acid
CID 123357592
2-amino-3-methylsulfanyloxypropanoic acid
CID 123638438
(2S)-2-amino-3-propanoyloxypropanoic acid
CID 56621340

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[methoxy(methyl)phosphoryl]oxypropanoic acid?
The IUPAC name of 2-amino-3-[methoxy(methyl)phosphoryl]oxypropanoic acid (CID 126576977) is 2-amino-3-[methoxy(methyl)phosphoryl]oxypropanoic acid.
What is the SMILES notation for 2-amino-3-[methoxy(methyl)phosphoryl]oxypropanoic acid?
The canonical SMILES for 2-amino-3-[methoxy(methyl)phosphoryl]oxypropanoic acid is COP(C)(=O)OCC(N)C(=O)O.
What is the InChIKey of 2-amino-3-[methoxy(methyl)phosphoryl]oxypropanoic acid?
The InChIKey is OOOUDKJYXSACHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12NO5P/c1-10-12(2,9)11-3-4(6)5(7)8/h4H,3,6H2,1-2H3,(H,7,8).
What are the key properties of 2-amino-3-[methoxy(methyl)phosphoryl]oxypropanoic acid?
2-amino-3-[methoxy(methyl)phosphoryl]oxypropanoic acid has a molecular weight of 197.13 g/mol, XLogP of -0.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[methoxy(methyl)phosphoryl]oxypropanoic acid is sourced from PubChem (CID 126576977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).