(2R)-2-[benzyl(methyl)amino]-3-phenylpropanoic acid

C17H19NO2 — CID 825996

IUPAC(2R)-2-[benzyl(methyl)amino]-3-phenylpropanoic acid
SMILESCN(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C17H19NO2/c1-18(13-15-10-6-3-7-11-15)16(17(19)20)12-14-8-4-2-5-9-14/h2-11,16H,12-13H2,1H3,(H,19,20)/t16-/m1/s1
InChIKeySJIBTQJXBWNPGF-MRXNPFEDSA-N
MW269.34 g/mol
LogP2.81
Rot. Bonds6

About (2R)-2-[benzyl(methyl)amino]-3-phenylpropanoic acid

(2R)-2-[benzyl(methyl)amino]-3-phenylpropanoic acid (PubChem CID 825996) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is (2R)-2-[benzyl(methyl)amino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-[benzyl(methyl)amino]-3-phenylpropanoic acid
PubChem CID825996
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name(2R)-2-[benzyl(methyl)amino]-3-phenylpropanoic acid
SMILESCN(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C17H19NO2/c1-18(13-15-10-6-3-7-11-15)16(17(19)20)12-14-8-4-2-5-9-14/h2-11,16H,12-13H2,1H3,(H,19,20)/t16-/m1/s1
InChIKeySJIBTQJXBWNPGF-MRXNPFEDSA-N
XLogP2.81
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[acetyl(benzyl)amino]-3-phenylpropanoic acid
CID 15325398
(2S)-2-[chloromethyl(methyl)amino]-3-phenylpropanoic acid
CID 54255696
2-[methyl(phenacyl)amino]-3-phenylpropanoic acid
CID 23298527
(2S)-2-[benzyl(methyl)amino]hexanoic acid
CID 165358312
2-(dihydroxyamino)-3-phenylpropanoic acid
CID 22141935
2-[carbonochloridoyl(methyl)amino]-3-phenylpropanoic acid
CID 154004166
CID 160513351
CID 160513351
(2S)-2-[diphenylphosphoryl(methyl)amino]-3-phenylpropanoic acid
CID 71387585
(2S)-2-[amino(fluoro)amino]-3-phenylpropanoic acid
CID 174662660
(2S)-2-[bis(methylamino)amino]-3-phenylpropanoic acid
CID 156761837
(2R)-2-[benzyl(methyl)amino]-3-hydroxypropanamide
CID 14621674
(2S)-2-[bis(sulfanyl)amino]-3-phenylpropanoic acid
CID 88617748

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[benzyl(methyl)amino]-3-phenylpropanoic acid?
The IUPAC name of (2R)-2-[benzyl(methyl)amino]-3-phenylpropanoic acid (CID 825996) is (2R)-2-[benzyl(methyl)amino]-3-phenylpropanoic acid.
What is the SMILES notation for (2R)-2-[benzyl(methyl)amino]-3-phenylpropanoic acid?
The canonical SMILES for (2R)-2-[benzyl(methyl)amino]-3-phenylpropanoic acid is CN(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)O.
What is the InChIKey of (2R)-2-[benzyl(methyl)amino]-3-phenylpropanoic acid?
The InChIKey is SJIBTQJXBWNPGF-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H19NO2/c1-18(13-15-10-6-3-7-11-15)16(17(19)20)12-14-8-4-2-5-9-14/h2-11,16H,12-13H2,1H3,(H,19,20)/t16-/m1/s1.
What are the key properties of (2R)-2-[benzyl(methyl)amino]-3-phenylpropanoic acid?
(2R)-2-[benzyl(methyl)amino]-3-phenylpropanoic acid has a molecular weight of 269.34 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[benzyl(methyl)amino]-3-phenylpropanoic acid is sourced from PubChem (CID 825996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).