phosphono (2S)-2-(methoxyamino)propanoate

C4H10NO6P — CID 21349700

IUPACphosphono (2S)-2-(methoxyamino)propanoate
SMILESCON[C@@H](C)C(=O)OP(=O)(O)O
InChIInChI=1S/C4H10NO6P/c1-3(5-10-2)4(6)11-12(7,8)9/h3,5H,1-2H3,(H2,7,8,9)/t3-/m0/s1
InChIKeyCJYZNBVSKUDWJI-VKHMYHEASA-N
MW199.10 g/mol
LogP-0.84
Rot. Bonds4

About phosphono (2S)-2-(methoxyamino)propanoate

phosphono (2S)-2-(methoxyamino)propanoate (PubChem CID 21349700) has the molecular formula C4H10NO6P and a molecular weight of 199.10 g/mol. Its IUPAC name is phosphono (2S)-2-(methoxyamino)propanoate.

Molecular Properties

Compound Namephosphono (2S)-2-(methoxyamino)propanoate
PubChem CID21349700
Molecular FormulaC4H10NO6P
Molecular Weight199.10 g/mol
Exact Mass199.02
IUPAC Namephosphono (2S)-2-(methoxyamino)propanoate
SMILESCON[C@@H](C)C(=O)OP(=O)(O)O
InChIInChI=1S/C4H10NO6P/c1-3(5-10-2)4(6)11-12(7,8)9/h3,5H,1-2H3,(H2,7,8,9)/t3-/m0/s1
InChIKeyCJYZNBVSKUDWJI-VKHMYHEASA-N
XLogP-0.84
TPSA105.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.10
LogP ≤ 5-0.84
H-Bond Donors ≤ 53
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-(methoxyamino)propanoate?
The IUPAC name of phosphono (2S)-2-(methoxyamino)propanoate (CID 21349700) is phosphono (2S)-2-(methoxyamino)propanoate.
What is the SMILES notation for phosphono (2S)-2-(methoxyamino)propanoate?
The canonical SMILES for phosphono (2S)-2-(methoxyamino)propanoate is CON[C@@H](C)C(=O)OP(=O)(O)O.
What is the InChIKey of phosphono (2S)-2-(methoxyamino)propanoate?
The InChIKey is CJYZNBVSKUDWJI-VKHMYHEASA-N. The full InChI is InChI=1S/C4H10NO6P/c1-3(5-10-2)4(6)11-12(7,8)9/h3,5H,1-2H3,(H2,7,8,9)/t3-/m0/s1.
What are the key properties of phosphono (2S)-2-(methoxyamino)propanoate?
phosphono (2S)-2-(methoxyamino)propanoate has a molecular weight of 199.10 g/mol, XLogP of -0.84, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phosphono (2S)-2-(methoxyamino)propanoate is sourced from PubChem (CID 21349700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).