(1-acetamido-2-hydroxypropan-2-yl)phosphonic acid

C5H12NO5P — CID 59871533

IUPAC(1-acetamido-2-hydroxypropan-2-yl)phosphonic acid
SMILESCC(=O)NCC(C)(O)P(=O)(O)O
InChIInChI=1S/C5H12NO5P/c1-4(7)6-3-5(2,8)12(9,10)11/h8H,3H2,1-2H3,(H,6,7)(H2,9,10,11)
InChIKeyHNOKMAZOTJCIPZ-UHFFFAOYSA-N
MW197.13 g/mol
LogP-0.99
Rot. Bonds3

About (1-acetamido-2-hydroxypropan-2-yl)phosphonic acid

(1-acetamido-2-hydroxypropan-2-yl)phosphonic acid (PubChem CID 59871533) has the molecular formula C5H12NO5P and a molecular weight of 197.13 g/mol. Its IUPAC name is (1-acetamido-2-hydroxypropan-2-yl)phosphonic acid.

Molecular Properties

Compound Name(1-acetamido-2-hydroxypropan-2-yl)phosphonic acid
PubChem CID59871533
Molecular FormulaC5H12NO5P
Molecular Weight197.13 g/mol
Exact Mass197.05
IUPAC Name(1-acetamido-2-hydroxypropan-2-yl)phosphonic acid
SMILESCC(=O)NCC(C)(O)P(=O)(O)O
InChIInChI=1S/C5H12NO5P/c1-4(7)6-3-5(2,8)12(9,10)11/h8H,3H2,1-2H3,(H,6,7)(H2,9,10,11)
InChIKeyHNOKMAZOTJCIPZ-UHFFFAOYSA-N
XLogP-0.99
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.13
LogP ≤ 5-0.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1-acetamido-2-hydroxypropan-2-yl)phosphonic acid?
The IUPAC name of (1-acetamido-2-hydroxypropan-2-yl)phosphonic acid (CID 59871533) is (1-acetamido-2-hydroxypropan-2-yl)phosphonic acid.
What is the SMILES notation for (1-acetamido-2-hydroxypropan-2-yl)phosphonic acid?
The canonical SMILES for (1-acetamido-2-hydroxypropan-2-yl)phosphonic acid is CC(=O)NCC(C)(O)P(=O)(O)O.
What is the InChIKey of (1-acetamido-2-hydroxypropan-2-yl)phosphonic acid?
The InChIKey is HNOKMAZOTJCIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12NO5P/c1-4(7)6-3-5(2,8)12(9,10)11/h8H,3H2,1-2H3,(H,6,7)(H2,9,10,11).
What are the key properties of (1-acetamido-2-hydroxypropan-2-yl)phosphonic acid?
(1-acetamido-2-hydroxypropan-2-yl)phosphonic acid has a molecular weight of 197.13 g/mol, XLogP of -0.99, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-acetamido-2-hydroxypropan-2-yl)phosphonic acid is sourced from PubChem (CID 59871533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).