(2S)-3-hydroxy-2-[methyl(3-phosphonoprop-2-enyl)amino]propanoic acid

C7H14NO6P — CID 173088955

IUPAC(2S)-3-hydroxy-2-[methyl(3-phosphonoprop-2-enyl)amino]propanoic acid
SMILESCN(CC=CP(=O)(O)O)[C@@H](CO)C(=O)O
InChIInChI=1S/C7H14NO6P/c1-8(6(5-9)7(10)11)3-2-4-15(12,13)14/h2,4,6,9H,3,5H2,1H3,(H,10,11)(H2,12,13,14)/t6-/m0/s1
InChIKeyCVAAMMPYAHNHAL-LURJTMIESA-N
MW239.16 g/mol
LogP-0.94
Rot. Bonds6

About (2S)-3-hydroxy-2-[methyl(3-phosphonoprop-2-enyl)amino]propanoic acid

(2S)-3-hydroxy-2-[methyl(3-phosphonoprop-2-enyl)amino]propanoic acid (PubChem CID 173088955) has the molecular formula C7H14NO6P and a molecular weight of 239.16 g/mol. Its IUPAC name is (2S)-3-hydroxy-2-[methyl(3-phosphonoprop-2-enyl)amino]propanoic acid.

Molecular Properties

Compound Name(2S)-3-hydroxy-2-[methyl(3-phosphonoprop-2-enyl)amino]propanoic acid
PubChem CID173088955
Molecular FormulaC7H14NO6P
Molecular Weight239.16 g/mol
Exact Mass239.06
IUPAC Name(2S)-3-hydroxy-2-[methyl(3-phosphonoprop-2-enyl)amino]propanoic acid
SMILESCN(CC=CP(=O)(O)O)[C@@H](CO)C(=O)O
InChIInChI=1S/C7H14NO6P/c1-8(6(5-9)7(10)11)3-2-4-15(12,13)14/h2,4,6,9H,3,5H2,1H3,(H,10,11)(H2,12,13,14)/t6-/m0/s1
InChIKeyCVAAMMPYAHNHAL-LURJTMIESA-N
XLogP-0.94
TPSA118.30 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.16
LogP ≤ 5-0.94
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)-3-hydroxy-2-[methyl(3-phosphonoprop-2-enyl)amino]propanoic acid?
The IUPAC name of (2S)-3-hydroxy-2-[methyl(3-phosphonoprop-2-enyl)amino]propanoic acid (CID 173088955) is (2S)-3-hydroxy-2-[methyl(3-phosphonoprop-2-enyl)amino]propanoic acid.
What is the SMILES notation for (2S)-3-hydroxy-2-[methyl(3-phosphonoprop-2-enyl)amino]propanoic acid?
The canonical SMILES for (2S)-3-hydroxy-2-[methyl(3-phosphonoprop-2-enyl)amino]propanoic acid is CN(CC=CP(=O)(O)O)[C@@H](CO)C(=O)O.
What is the InChIKey of (2S)-3-hydroxy-2-[methyl(3-phosphonoprop-2-enyl)amino]propanoic acid?
The InChIKey is CVAAMMPYAHNHAL-LURJTMIESA-N. The full InChI is InChI=1S/C7H14NO6P/c1-8(6(5-9)7(10)11)3-2-4-15(12,13)14/h2,4,6,9H,3,5H2,1H3,(H,10,11)(H2,12,13,14)/t6-/m0/s1.
What are the key properties of (2S)-3-hydroxy-2-[methyl(3-phosphonoprop-2-enyl)amino]propanoic acid?
(2S)-3-hydroxy-2-[methyl(3-phosphonoprop-2-enyl)amino]propanoic acid has a molecular weight of 239.16 g/mol, XLogP of -0.94, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-hydroxy-2-[methyl(3-phosphonoprop-2-enyl)amino]propanoic acid is sourced from PubChem (CID 173088955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).