phosphono (2S)-2-(N-methoxyanilino)propanoate

C10H14NO6P — CID 57269453

IUPACphosphono (2S)-2-(N-methoxyanilino)propanoate
SMILESCON(c1ccccc1)[C@@H](C)C(=O)OP(=O)(O)O
InChIInChI=1S/C10H14NO6P/c1-8(10(12)17-18(13,14)15)11(16-2)9-6-4-3-5-7-9/h3-8H,1-2H3,(H2,13,14,15)/t8-/m0/s1
InChIKeyCYWQPBAZPJRWKX-QMMMGPOBSA-N
MW275.20 g/mol
LogP1.08
Rot. Bonds5

About phosphono (2S)-2-(N-methoxyanilino)propanoate

phosphono (2S)-2-(N-methoxyanilino)propanoate (PubChem CID 57269453) has the molecular formula C10H14NO6P and a molecular weight of 275.20 g/mol. Its IUPAC name is phosphono (2S)-2-(N-methoxyanilino)propanoate.

Molecular Properties

Compound Namephosphono (2S)-2-(N-methoxyanilino)propanoate
PubChem CID57269453
Molecular FormulaC10H14NO6P
Molecular Weight275.20 g/mol
Exact Mass275.06
IUPAC Namephosphono (2S)-2-(N-methoxyanilino)propanoate
SMILESCON(c1ccccc1)[C@@H](C)C(=O)OP(=O)(O)O
InChIInChI=1S/C10H14NO6P/c1-8(10(12)17-18(13,14)15)11(16-2)9-6-4-3-5-7-9/h3-8H,1-2H3,(H2,13,14,15)/t8-/m0/s1
InChIKeyCYWQPBAZPJRWKX-QMMMGPOBSA-N
XLogP1.08
TPSA96.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.20
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of phosphono (2S)-2-(N-methoxyanilino)propanoate?
The IUPAC name of phosphono (2S)-2-(N-methoxyanilino)propanoate (CID 57269453) is phosphono (2S)-2-(N-methoxyanilino)propanoate.
What is the SMILES notation for phosphono (2S)-2-(N-methoxyanilino)propanoate?
The canonical SMILES for phosphono (2S)-2-(N-methoxyanilino)propanoate is CON(c1ccccc1)[C@@H](C)C(=O)OP(=O)(O)O.
What is the InChIKey of phosphono (2S)-2-(N-methoxyanilino)propanoate?
The InChIKey is CYWQPBAZPJRWKX-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H14NO6P/c1-8(10(12)17-18(13,14)15)11(16-2)9-6-4-3-5-7-9/h3-8H,1-2H3,(H2,13,14,15)/t8-/m0/s1.
What are the key properties of phosphono (2S)-2-(N-methoxyanilino)propanoate?
phosphono (2S)-2-(N-methoxyanilino)propanoate has a molecular weight of 275.20 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phosphono (2S)-2-(N-methoxyanilino)propanoate is sourced from PubChem (CID 57269453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).