[[(2S)-2-amino-3-hydroxypropanoyl]amino]methyl-methylphosphinic acid

C5H13N2O4P — CID 24971440

IUPAC[[(2S)-2-amino-3-hydroxypropanoyl]amino]methyl-methylphosphinic acid
SMILESCP(=O)(O)CNC(=O)[C@@H](N)CO
InChIInChI=1S/C5H13N2O4P/c1-12(10,11)3-7-5(9)4(6)2-8/h4,8H,2-3,6H2,1H3,(H,7,9)(H,10,11)/t4-/m0/s1
InChIKeyMLQSOJUCIYKIOX-BYPYZUCNSA-N
MW196.14 g/mol
LogP-1.72
Rot. Bonds4

About [[(2S)-2-amino-3-hydroxypropanoyl]amino]methyl-methylphosphinic acid

[[(2S)-2-amino-3-hydroxypropanoyl]amino]methyl-methylphosphinic acid (PubChem CID 24971440) has the molecular formula C5H13N2O4P and a molecular weight of 196.14 g/mol. Its IUPAC name is [[(2S)-2-amino-3-hydroxypropanoyl]amino]methyl-methylphosphinic acid.

Molecular Properties

Compound Name[[(2S)-2-amino-3-hydroxypropanoyl]amino]methyl-methylphosphinic acid
PubChem CID24971440
Molecular FormulaC5H13N2O4P
Molecular Weight196.14 g/mol
Exact Mass196.06
IUPAC Name[[(2S)-2-amino-3-hydroxypropanoyl]amino]methyl-methylphosphinic acid
SMILESCP(=O)(O)CNC(=O)[C@@H](N)CO
InChIInChI=1S/C5H13N2O4P/c1-12(10,11)3-7-5(9)4(6)2-8/h4,8H,2-3,6H2,1H3,(H,7,9)(H,10,11)/t4-/m0/s1
InChIKeyMLQSOJUCIYKIOX-BYPYZUCNSA-N
XLogP-1.72
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.14
LogP ≤ 5-1.72
H-Bond Donors ≤ 54
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 [[(2S)-2-amino-3-hydroxypropanoyl]amino]methyl-methylphosphinic acid?
The IUPAC name of [[(2S)-2-amino-3-hydroxypropanoyl]amino]methyl-methylphosphinic acid (CID 24971440) is [[(2S)-2-amino-3-hydroxypropanoyl]amino]methyl-methylphosphinic acid.
What is the SMILES notation for [[(2S)-2-amino-3-hydroxypropanoyl]amino]methyl-methylphosphinic acid?
The canonical SMILES for [[(2S)-2-amino-3-hydroxypropanoyl]amino]methyl-methylphosphinic acid is CP(=O)(O)CNC(=O)[C@@H](N)CO.
What is the InChIKey of [[(2S)-2-amino-3-hydroxypropanoyl]amino]methyl-methylphosphinic acid?
The InChIKey is MLQSOJUCIYKIOX-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H13N2O4P/c1-12(10,11)3-7-5(9)4(6)2-8/h4,8H,2-3,6H2,1H3,(H,7,9)(H,10,11)/t4-/m0/s1.
What are the key properties of [[(2S)-2-amino-3-hydroxypropanoyl]amino]methyl-methylphosphinic acid?
[[(2S)-2-amino-3-hydroxypropanoyl]amino]methyl-methylphosphinic acid has a molecular weight of 196.14 g/mol, XLogP of -1.72, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [[(2S)-2-amino-3-hydroxypropanoyl]amino]methyl-methylphosphinic acid is sourced from PubChem (CID 24971440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).