(2R)-2-amino-2-(3-methyl-4-phosphonophenyl)propanoic acid

C10H14NO5P — CID 92849766

IUPAC(2R)-2-amino-2-(3-methyl-4-phosphonophenyl)propanoic acid
SMILESCc1cc([C@@](C)(N)C(=O)O)ccc1P(=O)(O)O
InChIInChI=1S/C10H14NO5P/c1-6-5-7(10(2,11)9(12)13)3-4-8(6)17(14,15)16/h3-5H,11H2,1-2H3,(H,12,13)(H2,14,15,16)/t10-/m1/s1
InChIKeyLLEOLNUKLKCAFG-SNVBAGLBSA-N
MW259.20 g/mol
LogP0.06
Rot. Bonds3

About (2R)-2-amino-2-(3-methyl-4-phosphonophenyl)propanoic acid

(2R)-2-amino-2-(3-methyl-4-phosphonophenyl)propanoic acid (PubChem CID 92849766) has the molecular formula C10H14NO5P and a molecular weight of 259.20 g/mol. Its IUPAC name is (2R)-2-amino-2-(3-methyl-4-phosphonophenyl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-2-(3-methyl-4-phosphonophenyl)propanoic acid
PubChem CID92849766
Molecular FormulaC10H14NO5P
Molecular Weight259.20 g/mol
Exact Mass259.06
IUPAC Name(2R)-2-amino-2-(3-methyl-4-phosphonophenyl)propanoic acid
SMILESCc1cc([C@@](C)(N)C(=O)O)ccc1P(=O)(O)O
InChIInChI=1S/C10H14NO5P/c1-6-5-7(10(2,11)9(12)13)3-4-8(6)17(14,15)16/h3-5H,11H2,1-2H3,(H,12,13)(H2,14,15,16)/t10-/m1/s1
InChIKeyLLEOLNUKLKCAFG-SNVBAGLBSA-N
XLogP0.06
TPSA120.85 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.20
LogP ≤ 50.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(3-methyl-4-phosphonophenyl)propanoic acid?
The IUPAC name of (2R)-2-amino-2-(3-methyl-4-phosphonophenyl)propanoic acid (CID 92849766) is (2R)-2-amino-2-(3-methyl-4-phosphonophenyl)propanoic acid.
What is the SMILES notation for (2R)-2-amino-2-(3-methyl-4-phosphonophenyl)propanoic acid?
The canonical SMILES for (2R)-2-amino-2-(3-methyl-4-phosphonophenyl)propanoic acid is Cc1cc([C@@](C)(N)C(=O)O)ccc1P(=O)(O)O.
What is the InChIKey of (2R)-2-amino-2-(3-methyl-4-phosphonophenyl)propanoic acid?
The InChIKey is LLEOLNUKLKCAFG-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H14NO5P/c1-6-5-7(10(2,11)9(12)13)3-4-8(6)17(14,15)16/h3-5H,11H2,1-2H3,(H,12,13)(H2,14,15,16)/t10-/m1/s1.
What are the key properties of (2R)-2-amino-2-(3-methyl-4-phosphonophenyl)propanoic acid?
(2R)-2-amino-2-(3-methyl-4-phosphonophenyl)propanoic acid has a molecular weight of 259.20 g/mol, XLogP of 0.06, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(3-methyl-4-phosphonophenyl)propanoic acid is sourced from PubChem (CID 92849766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).