disodium;(2S)-2-[[methoxy(oxido)phosphoryl]amino]propanoate

C4H8NNa2O5P — CID 53483146

IUPACdisodium;(2S)-2-[[methoxy(oxido)phosphoryl]amino]propanoate
SMILESCOP(=O)([O-])N[C@@H](C)C(=O)[O-].[Na+].[Na+]
InChIInChI=1S/C4H10NO5P.2Na/c1-3(4(6)7)5-11(8,9)10-2;;/h3H,1-2H3,(H,6,7)(H2,5,8,9);;/q;2*+1/p-2/t3-;;/m0../s1
InChIKeyFDHHXGSQPWEPMH-QTNFYWBSSA-L
MW227.06 g/mol
LogP-8.16
Rot. Bonds4

About disodium;(2S)-2-[[methoxy(oxido)phosphoryl]amino]propanoate

disodium;(2S)-2-[[methoxy(oxido)phosphoryl]amino]propanoate (PubChem CID 53483146) has the molecular formula C4H8NNa2O5P and a molecular weight of 227.06 g/mol. Its IUPAC name is disodium;(2S)-2-[[methoxy(oxido)phosphoryl]amino]propanoate.

Molecular Properties

Compound Namedisodium;(2S)-2-[[methoxy(oxido)phosphoryl]amino]propanoate
PubChem CID53483146
Molecular FormulaC4H8NNa2O5P
Molecular Weight227.06 g/mol
Exact Mass226.99
IUPAC Namedisodium;(2S)-2-[[methoxy(oxido)phosphoryl]amino]propanoate
SMILESCOP(=O)([O-])N[C@@H](C)C(=O)[O-].[Na+].[Na+]
InChIInChI=1S/C4H10NO5P.2Na/c1-3(4(6)7)5-11(8,9)10-2;;/h3H,1-2H3,(H,6,7)(H2,5,8,9);;/q;2*+1/p-2/t3-;;/m0../s1
InChIKeyFDHHXGSQPWEPMH-QTNFYWBSSA-L
XLogP-8.16
TPSA101.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.06
LogP ≤ 5-8.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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
Phosphono 2-aminopropanoate
CID 17903691
phosphono (2S)-2-(methoxyamino)propanoate
CID 21349700
phosphono (2S)-2-aminopropanoate
CID 53885856
bis[[(2S)-2-aminopropanoyl]oxy]-oxophosphanium
CID 91574079
methyl (2S)-2-(dimethoxyphosphorylamino)propanoate
CID 176436822
[ethoxy(hydroxy)phosphoryl] (2S)-2-aminopropanoate
CID 15333867
methoxy-N-[(2S)-1-methoxy-1-oxopropan-2-yl]phosphonamidic acid
CID 21971191
methoxy-N-(1-methoxy-1-oxopropan-2-yl)phosphonamidic acid
CID 23297966
(2S)-2-[[hydroxy(methoxy)phosphoryl]amino]propanoic acid
CID 53483147
Methyl 2-amino-3-dimethoxyphosphorylpropanoate
CID 53986466
dimethoxyphosphoryl (2S)-2-aminopropanoate
CID 57050043

Frequently Asked Questions

What is the IUPAC name of disodium;(2S)-2-[[methoxy(oxido)phosphoryl]amino]propanoate?
The IUPAC name of disodium;(2S)-2-[[methoxy(oxido)phosphoryl]amino]propanoate (CID 53483146) is disodium;(2S)-2-[[methoxy(oxido)phosphoryl]amino]propanoate.
What is the SMILES notation for disodium;(2S)-2-[[methoxy(oxido)phosphoryl]amino]propanoate?
The canonical SMILES for disodium;(2S)-2-[[methoxy(oxido)phosphoryl]amino]propanoate is COP(=O)([O-])N[C@@H](C)C(=O)[O-].[Na+].[Na+].
What is the InChIKey of disodium;(2S)-2-[[methoxy(oxido)phosphoryl]amino]propanoate?
The InChIKey is FDHHXGSQPWEPMH-QTNFYWBSSA-L. The full InChI is InChI=1S/C4H10NO5P.2Na/c1-3(4(6)7)5-11(8,9)10-2;;/h3H,1-2H3,(H,6,7)(H2,5,8,9);;/q;2*+1/p-2/t3-;;/m0../s1.
What are the key properties of disodium;(2S)-2-[[methoxy(oxido)phosphoryl]amino]propanoate?
disodium;(2S)-2-[[methoxy(oxido)phosphoryl]amino]propanoate has a molecular weight of 227.06 g/mol, XLogP of -8.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;(2S)-2-[[methoxy(oxido)phosphoryl]amino]propanoate is sourced from PubChem (CID 53483146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).