2-phenyl-3-[[(1R)-1-phenylethyl]amino]propanoic acid

C17H19NO2 — CID 78996615

IUPAC2-phenyl-3-[[(1R)-1-phenylethyl]amino]propanoic acid
SMILESC[C@@H](NCC(C(=O)O)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H19NO2/c1-13(14-8-4-2-5-9-14)18-12-16(17(19)20)15-10-6-3-7-11-15/h2-11,13,16,18H,12H2,1H3,(H,19,20)/t13-,16?/m1/s1
InChIKeyRAXMUAOFWQTBAG-JBZHPUCOSA-N
MW269.34 g/mol
LogP3.21
Rot. Bonds6

About 2-phenyl-3-[[(1R)-1-phenylethyl]amino]propanoic acid

2-phenyl-3-[[(1R)-1-phenylethyl]amino]propanoic acid (PubChem CID 78996615) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-phenyl-3-[[(1R)-1-phenylethyl]amino]propanoic acid.

Molecular Properties

Compound Name2-phenyl-3-[[(1R)-1-phenylethyl]amino]propanoic acid
PubChem CID78996615
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name2-phenyl-3-[[(1R)-1-phenylethyl]amino]propanoic acid
SMILESC[C@@H](NCC(C(=O)O)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H19NO2/c1-13(14-8-4-2-5-9-14)18-12-16(17(19)20)15-10-6-3-7-11-15/h2-11,13,16,18H,12H2,1H3,(H,19,20)/t13-,16?/m1/s1
InChIKeyRAXMUAOFWQTBAG-JBZHPUCOSA-N
XLogP3.21
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[(1R)-1-(3-fluorophenyl)ethyl]amino]-2-phenylpropanoic acid
CID 81351937
3-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-phenylpropanoic acid
CID 81399651
3-[1-(2-chlorophenyl)ethylamino]-2-phenylpropanoic acid
CID 64558637
3-(3-ethylpentan-2-ylamino)-2-phenylpropanoic acid
CID 64559425
3-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]-2-phenylpropanoic acid
CID 64559399
3-(methylamino)-2-phenylpropanoic acid;hydrochloride
CID 134828159
2-methyl-N-[(1R)-1-phenylethyl]-3-[[(1S)-1-phenylethyl]amino]propanamide
CID 102214409
3-methyl-4-[[(1S)-1-phenylethyl]amino]butanoic acid
CID 66667433
1,3-bis[[(1S)-1-phenylethyl]amino]propan-2-ol
CID 15470316
1,4-bis(1-phenylethylamino)butane-2,3-diol
CID 20833353
N'-hydroxy-2-phenyl-3-(1-phenylethylamino)propanimidamide
CID 77043722
1-phenyl-2-(1-phenylethylamino)ethanol
CID 4665183

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-[[(1R)-1-phenylethyl]amino]propanoic acid?
The IUPAC name of 2-phenyl-3-[[(1R)-1-phenylethyl]amino]propanoic acid (CID 78996615) is 2-phenyl-3-[[(1R)-1-phenylethyl]amino]propanoic acid.
What is the SMILES notation for 2-phenyl-3-[[(1R)-1-phenylethyl]amino]propanoic acid?
The canonical SMILES for 2-phenyl-3-[[(1R)-1-phenylethyl]amino]propanoic acid is C[C@@H](NCC(C(=O)O)c1ccccc1)c1ccccc1.
What is the InChIKey of 2-phenyl-3-[[(1R)-1-phenylethyl]amino]propanoic acid?
The InChIKey is RAXMUAOFWQTBAG-JBZHPUCOSA-N. The full InChI is InChI=1S/C17H19NO2/c1-13(14-8-4-2-5-9-14)18-12-16(17(19)20)15-10-6-3-7-11-15/h2-11,13,16,18H,12H2,1H3,(H,19,20)/t13-,16?/m1/s1.
What are the key properties of 2-phenyl-3-[[(1R)-1-phenylethyl]amino]propanoic acid?
2-phenyl-3-[[(1R)-1-phenylethyl]amino]propanoic acid has a molecular weight of 269.34 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-[[(1R)-1-phenylethyl]amino]propanoic acid is sourced from PubChem (CID 78996615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).