(2R)-3-amino-2-benzyl-2-methyl-3-oxopropanoic acid

C11H13NO3 — CID 11264235

IUPAC(2R)-3-amino-2-benzyl-2-methyl-3-oxopropanoic acid
SMILESC[C@@](Cc1ccccc1)(C(N)=O)C(=O)O
InChIInChI=1S/C11H13NO3/c1-11(9(12)13,10(14)15)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H2,12,13)(H,14,15)/t11-/m1/s1
InChIKeyFPXCPFOGIUPOSY-LLVKDONJSA-N
MW207.23 g/mol
LogP0.81
Rot. Bonds4

About (2R)-3-amino-2-benzyl-2-methyl-3-oxopropanoic acid

(2R)-3-amino-2-benzyl-2-methyl-3-oxopropanoic acid (PubChem CID 11264235) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is (2R)-3-amino-2-benzyl-2-methyl-3-oxopropanoic acid.

Molecular Properties

Compound Name(2R)-3-amino-2-benzyl-2-methyl-3-oxopropanoic acid
PubChem CID11264235
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name(2R)-3-amino-2-benzyl-2-methyl-3-oxopropanoic acid
SMILESC[C@@](Cc1ccccc1)(C(N)=O)C(=O)O
InChIInChI=1S/C11H13NO3/c1-11(9(12)13,10(14)15)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H2,12,13)(H,14,15)/t11-/m1/s1
InChIKeyFPXCPFOGIUPOSY-LLVKDONJSA-N
XLogP0.81
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-amino-2-benzyl-2-methyl-3-oxopropanoic acid?
The IUPAC name of (2R)-3-amino-2-benzyl-2-methyl-3-oxopropanoic acid (CID 11264235) is (2R)-3-amino-2-benzyl-2-methyl-3-oxopropanoic acid.
What is the SMILES notation for (2R)-3-amino-2-benzyl-2-methyl-3-oxopropanoic acid?
The canonical SMILES for (2R)-3-amino-2-benzyl-2-methyl-3-oxopropanoic acid is C[C@@](Cc1ccccc1)(C(N)=O)C(=O)O.
What is the InChIKey of (2R)-3-amino-2-benzyl-2-methyl-3-oxopropanoic acid?
The InChIKey is FPXCPFOGIUPOSY-LLVKDONJSA-N. The full InChI is InChI=1S/C11H13NO3/c1-11(9(12)13,10(14)15)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H2,12,13)(H,14,15)/t11-/m1/s1.
What are the key properties of (2R)-3-amino-2-benzyl-2-methyl-3-oxopropanoic acid?
(2R)-3-amino-2-benzyl-2-methyl-3-oxopropanoic acid has a molecular weight of 207.23 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-amino-2-benzyl-2-methyl-3-oxopropanoic acid is sourced from PubChem (CID 11264235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).