(2R)-2-(benzylamino)-2-phenylpropanoic acid

C16H17NO2 — CID 101031670

IUPAC(2R)-2-(benzylamino)-2-phenylpropanoic acid
SMILESC[C@](NCc1ccccc1)(C(=O)O)c1ccccc1
InChIInChI=1S/C16H17NO2/c1-16(15(18)19,14-10-6-3-7-11-14)17-12-13-8-4-2-5-9-13/h2-11,17H,12H2,1H3,(H,18,19)/t16-/m1/s1
InChIKeyGTTBXPBIMJTDOZ-MRXNPFEDSA-N
MW255.32 g/mol
LogP2.78
Rot. Bonds5

About (2R)-2-(benzylamino)-2-phenylpropanoic acid

(2R)-2-(benzylamino)-2-phenylpropanoic acid (PubChem CID 101031670) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is (2R)-2-(benzylamino)-2-phenylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-(benzylamino)-2-phenylpropanoic acid
PubChem CID101031670
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name(2R)-2-(benzylamino)-2-phenylpropanoic acid
SMILESC[C@](NCc1ccccc1)(C(=O)O)c1ccccc1
InChIInChI=1S/C16H17NO2/c1-16(15(18)19,14-10-6-3-7-11-14)17-12-13-8-4-2-5-9-13/h2-11,17H,12H2,1H3,(H,18,19)/t16-/m1/s1
InChIKeyGTTBXPBIMJTDOZ-MRXNPFEDSA-N
XLogP2.78
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(benzylamino)-2-phenylpropanoic acid?
The IUPAC name of (2R)-2-(benzylamino)-2-phenylpropanoic acid (CID 101031670) is (2R)-2-(benzylamino)-2-phenylpropanoic acid.
What is the SMILES notation for (2R)-2-(benzylamino)-2-phenylpropanoic acid?
The canonical SMILES for (2R)-2-(benzylamino)-2-phenylpropanoic acid is C[C@](NCc1ccccc1)(C(=O)O)c1ccccc1.
What is the InChIKey of (2R)-2-(benzylamino)-2-phenylpropanoic acid?
The InChIKey is GTTBXPBIMJTDOZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H17NO2/c1-16(15(18)19,14-10-6-3-7-11-14)17-12-13-8-4-2-5-9-13/h2-11,17H,12H2,1H3,(H,18,19)/t16-/m1/s1.
What are the key properties of (2R)-2-(benzylamino)-2-phenylpropanoic acid?
(2R)-2-(benzylamino)-2-phenylpropanoic acid has a molecular weight of 255.32 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(benzylamino)-2-phenylpropanoic acid is sourced from PubChem (CID 101031670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).