N-[(1S)-1-phosphonatoethyl]acetamide

C4H8NO4P-2 — CID 122706082

IUPACN-[(1S)-1-phosphonatoethyl]acetamide
SMILESCC(=O)N[C@H](C)P(=O)([O-])[O-]
InChIInChI=1S/C4H10NO4P/c1-3(6)5-4(2)10(7,8)9/h4H,1-2H3,(H,5,6)(H2,7,8,9)/p-2/t4-/m0/s1
InChIKeyOWNNFWRGXJDEEX-BYPYZUCNSA-L
MW165.08 g/mol
LogP-1.62
Rot. Bonds2

About N-[(1S)-1-phosphonatoethyl]acetamide

N-[(1S)-1-phosphonatoethyl]acetamide (PubChem CID 122706082) has the molecular formula C4H8NO4P-2 and a molecular weight of 165.08 g/mol. Its IUPAC name is N-[(1S)-1-phosphonatoethyl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-phosphonatoethyl]acetamide
PubChem CID122706082
Molecular FormulaC4H8NO4P-2
Molecular Weight165.08 g/mol
Exact Mass165.02
IUPAC NameN-[(1S)-1-phosphonatoethyl]acetamide
SMILESCC(=O)N[C@H](C)P(=O)([O-])[O-]
InChIInChI=1S/C4H10NO4P/c1-3(6)5-4(2)10(7,8)9/h4H,1-2H3,(H,5,6)(H2,7,8,9)/p-2/t4-/m0/s1
InChIKeyOWNNFWRGXJDEEX-BYPYZUCNSA-L
XLogP-1.62
TPSA92.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.08
LogP ≤ 5-1.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-phosphonatoethyl]acetamide?
The IUPAC name of N-[(1S)-1-phosphonatoethyl]acetamide (CID 122706082) is N-[(1S)-1-phosphonatoethyl]acetamide.
What is the SMILES notation for N-[(1S)-1-phosphonatoethyl]acetamide?
The canonical SMILES for N-[(1S)-1-phosphonatoethyl]acetamide is CC(=O)N[C@H](C)P(=O)([O-])[O-].
What is the InChIKey of N-[(1S)-1-phosphonatoethyl]acetamide?
The InChIKey is OWNNFWRGXJDEEX-BYPYZUCNSA-L. The full InChI is InChI=1S/C4H10NO4P/c1-3(6)5-4(2)10(7,8)9/h4H,1-2H3,(H,5,6)(H2,7,8,9)/p-2/t4-/m0/s1.
What are the key properties of N-[(1S)-1-phosphonatoethyl]acetamide?
N-[(1S)-1-phosphonatoethyl]acetamide has a molecular weight of 165.08 g/mol, XLogP of -1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-phosphonatoethyl]acetamide is sourced from PubChem (CID 122706082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).