(2R)-2-(benzylamino)-3-methylbutanoic acid

C12H17NO2 — CID 13002779

IUPAC(2R)-2-(benzylamino)-3-methylbutanoic acid
SMILESCC(C)[C@@H](NCc1ccccc1)C(=O)O
InChIInChI=1S/C12H17NO2/c1-9(2)11(12(14)15)13-8-10-6-4-3-5-7-10/h3-7,9,11,13H,8H2,1-2H3,(H,14,15)/t11-/m1/s1
InChIKeyFJBAOZHBRMLMCP-LLVKDONJSA-N
MW207.27 g/mol
LogP1.89
Rot. Bonds5

About (2R)-2-(benzylamino)-3-methylbutanoic acid

(2R)-2-(benzylamino)-3-methylbutanoic acid (PubChem CID 13002779) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is (2R)-2-(benzylamino)-3-methylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-(benzylamino)-3-methylbutanoic acid
PubChem CID13002779
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name(2R)-2-(benzylamino)-3-methylbutanoic acid
SMILESCC(C)[C@@H](NCc1ccccc1)C(=O)O
InChIInChI=1S/C12H17NO2/c1-9(2)11(12(14)15)13-8-10-6-4-3-5-7-10/h3-7,9,11,13H,8H2,1-2H3,(H,14,15)/t11-/m1/s1
InChIKeyFJBAOZHBRMLMCP-LLVKDONJSA-N
XLogP1.89
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(benzylamino)-3-methylbutanoic acid?
The IUPAC name of (2R)-2-(benzylamino)-3-methylbutanoic acid (CID 13002779) is (2R)-2-(benzylamino)-3-methylbutanoic acid.
What is the SMILES notation for (2R)-2-(benzylamino)-3-methylbutanoic acid?
The canonical SMILES for (2R)-2-(benzylamino)-3-methylbutanoic acid is CC(C)[C@@H](NCc1ccccc1)C(=O)O.
What is the InChIKey of (2R)-2-(benzylamino)-3-methylbutanoic acid?
The InChIKey is FJBAOZHBRMLMCP-LLVKDONJSA-N. The full InChI is InChI=1S/C12H17NO2/c1-9(2)11(12(14)15)13-8-10-6-4-3-5-7-10/h3-7,9,11,13H,8H2,1-2H3,(H,14,15)/t11-/m1/s1.
What are the key properties of (2R)-2-(benzylamino)-3-methylbutanoic acid?
(2R)-2-(benzylamino)-3-methylbutanoic acid has a molecular weight of 207.27 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(benzylamino)-3-methylbutanoic acid is sourced from PubChem (CID 13002779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).