[ethoxy(hydroxy)phosphoryl] 2-aminoacetate

C4H10NO5P — CID 174702024

IUPAC[ethoxy(hydroxy)phosphoryl] 2-aminoacetate
SMILESCCOP(=O)(O)OC(=O)CN
InChIInChI=1S/C4H10NO5P/c1-2-9-11(7,8)10-4(6)3-5/h2-3,5H2,1H3,(H,7,8)
InChIKeyYAEVUBRIKSWRAN-UHFFFAOYSA-N
MW183.10 g/mol
LogP-0.37
Rot. Bonds4

About [ethoxy(hydroxy)phosphoryl] 2-aminoacetate

[ethoxy(hydroxy)phosphoryl] 2-aminoacetate (PubChem CID 174702024) has the molecular formula C4H10NO5P and a molecular weight of 183.10 g/mol. Its IUPAC name is [ethoxy(hydroxy)phosphoryl] 2-aminoacetate.

Molecular Properties

Compound Name[ethoxy(hydroxy)phosphoryl] 2-aminoacetate
PubChem CID174702024
Molecular FormulaC4H10NO5P
Molecular Weight183.10 g/mol
Exact Mass183.03
IUPAC Name[ethoxy(hydroxy)phosphoryl] 2-aminoacetate
SMILESCCOP(=O)(O)OC(=O)CN
InChIInChI=1S/C4H10NO5P/c1-2-9-11(7,8)10-4(6)3-5/h2-3,5H2,1H3,(H,7,8)
InChIKeyYAEVUBRIKSWRAN-UHFFFAOYSA-N
XLogP-0.37
TPSA98.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.10
LogP ≤ 5-0.37
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

[ethoxy(hydroxy)phosphoryl] 2-methylpropanoate
CID 175292316
diethyl hydrogen phosphate;scandium
CID 54607585
diethyl hydrogen phosphate;phosphoric acid
CID 87753541
copper;diethyl hydrogen phosphate
CID 174593393
CID 54611578
CID 54611578
diethyl hydrogen phosphate;sulfane
CID 88774651
azane;[ethoxy(hydroxy)phosphoryl] ethyl hydrogen phosphate
CID 173014442
diethyl hydrogen phosphate;formonitrile
CID 87389342
sodium;acetic acid;diethyl hydrogen phosphate;hydride
CID 175141912
sodium;amino ethyl hydrogen phosphate;hydride
CID 173405948
dimethoxyphosphoryl 2-aminoacetate
CID 150492348
ethyl 2-aminoacetate
CID 45039361

Frequently Asked Questions

What is the IUPAC name of [ethoxy(hydroxy)phosphoryl] 2-aminoacetate?
The IUPAC name of [ethoxy(hydroxy)phosphoryl] 2-aminoacetate (CID 174702024) is [ethoxy(hydroxy)phosphoryl] 2-aminoacetate.
What is the SMILES notation for [ethoxy(hydroxy)phosphoryl] 2-aminoacetate?
The canonical SMILES for [ethoxy(hydroxy)phosphoryl] 2-aminoacetate is CCOP(=O)(O)OC(=O)CN.
What is the InChIKey of [ethoxy(hydroxy)phosphoryl] 2-aminoacetate?
The InChIKey is YAEVUBRIKSWRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10NO5P/c1-2-9-11(7,8)10-4(6)3-5/h2-3,5H2,1H3,(H,7,8).
What are the key properties of [ethoxy(hydroxy)phosphoryl] 2-aminoacetate?
[ethoxy(hydroxy)phosphoryl] 2-aminoacetate has a molecular weight of 183.10 g/mol, XLogP of -0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [ethoxy(hydroxy)phosphoryl] 2-aminoacetate is sourced from PubChem (CID 174702024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).