2-(2-hydroxypropanoylamino)ethyl dihydrogen phosphate

C5H12NO6P — CID 11550267

IUPAC2-(2-hydroxypropanoylamino)ethyl dihydrogen phosphate
SMILESCC(O)C(=O)NCCOP(=O)(O)O
InChIInChI=1S/C5H12NO6P/c1-4(7)5(8)6-2-3-12-13(9,10)11/h4,7H,2-3H2,1H3,(H,6,8)(H2,9,10,11)
InChIKeyCKXSSEHWXMVQRZ-UHFFFAOYSA-N
MW213.13 g/mol
LogP-1.41
Rot. Bonds5

About 2-(2-hydroxypropanoylamino)ethyl dihydrogen phosphate

2-(2-hydroxypropanoylamino)ethyl dihydrogen phosphate (PubChem CID 11550267) has the molecular formula C5H12NO6P and a molecular weight of 213.13 g/mol. Its IUPAC name is 2-(2-hydroxypropanoylamino)ethyl dihydrogen phosphate.

Molecular Properties

Compound Name2-(2-hydroxypropanoylamino)ethyl dihydrogen phosphate
PubChem CID11550267
Molecular FormulaC5H12NO6P
Molecular Weight213.13 g/mol
Exact Mass213.04
IUPAC Name2-(2-hydroxypropanoylamino)ethyl dihydrogen phosphate
SMILESCC(O)C(=O)NCCOP(=O)(O)O
InChIInChI=1S/C5H12NO6P/c1-4(7)5(8)6-2-3-12-13(9,10)11/h4,7H,2-3H2,1H3,(H,6,8)(H2,9,10,11)
InChIKeyCKXSSEHWXMVQRZ-UHFFFAOYSA-N
XLogP-1.41
TPSA116.09 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.13
LogP ≤ 5-1.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxypropanoylamino)ethyl dihydrogen phosphate?
The IUPAC name of 2-(2-hydroxypropanoylamino)ethyl dihydrogen phosphate (CID 11550267) is 2-(2-hydroxypropanoylamino)ethyl dihydrogen phosphate.
What is the SMILES notation for 2-(2-hydroxypropanoylamino)ethyl dihydrogen phosphate?
The canonical SMILES for 2-(2-hydroxypropanoylamino)ethyl dihydrogen phosphate is CC(O)C(=O)NCCOP(=O)(O)O.
What is the InChIKey of 2-(2-hydroxypropanoylamino)ethyl dihydrogen phosphate?
The InChIKey is CKXSSEHWXMVQRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12NO6P/c1-4(7)5(8)6-2-3-12-13(9,10)11/h4,7H,2-3H2,1H3,(H,6,8)(H2,9,10,11).
What are the key properties of 2-(2-hydroxypropanoylamino)ethyl dihydrogen phosphate?
2-(2-hydroxypropanoylamino)ethyl dihydrogen phosphate has a molecular weight of 213.13 g/mol, XLogP of -1.41, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxypropanoylamino)ethyl dihydrogen phosphate is sourced from PubChem (CID 11550267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).