3-[[(1R)-1-(3-fluorophenyl)ethyl]amino]-2-phenylpropanoic acid

C17H18FNO2 — CID 81351937

IUPAC3-[[(1R)-1-(3-fluorophenyl)ethyl]amino]-2-phenylpropanoic acid
SMILESC[C@@H](NCC(C(=O)O)c1ccccc1)c1cccc(F)c1
InChIInChI=1S/C17H18FNO2/c1-12(14-8-5-9-15(18)10-14)19-11-16(17(20)21)13-6-3-2-4-7-13/h2-10,12,16,19H,11H2,1H3,(H,20,21)/t12-,16?/m1/s1
InChIKeyNLVQJAVRUXNXST-ZGTOLYCTSA-N
MW287.33 g/mol
LogP3.34
Rot. Bonds6

About 3-[[(1R)-1-(3-fluorophenyl)ethyl]amino]-2-phenylpropanoic acid

3-[[(1R)-1-(3-fluorophenyl)ethyl]amino]-2-phenylpropanoic acid (PubChem CID 81351937) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is 3-[[(1R)-1-(3-fluorophenyl)ethyl]amino]-2-phenylpropanoic acid.

Molecular Properties

Compound Name3-[[(1R)-1-(3-fluorophenyl)ethyl]amino]-2-phenylpropanoic acid
PubChem CID81351937
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC Name3-[[(1R)-1-(3-fluorophenyl)ethyl]amino]-2-phenylpropanoic acid
SMILESC[C@@H](NCC(C(=O)O)c1ccccc1)c1cccc(F)c1
InChIInChI=1S/C17H18FNO2/c1-12(14-8-5-9-15(18)10-14)19-11-16(17(20)21)13-6-3-2-4-7-13/h2-10,12,16,19H,11H2,1H3,(H,20,21)/t12-,16?/m1/s1
InChIKeyNLVQJAVRUXNXST-ZGTOLYCTSA-N
XLogP3.34
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenyl-3-[[(1R)-1-phenylethyl]amino]propanoic acid
CID 78996615
4-[[(1R)-1-(3-fluorophenyl)ethyl]amino]-3-hydroxybutanoic acid
CID 103258732
2-acetamido-3-[[(1R)-1-(3-fluorophenyl)ethyl]amino]propanoic acid
CID 81365356
(2R)-1-[[(1R)-1-(3-fluorophenyl)ethyl]amino]propan-2-ol
CID 93081927
3-[1-(2-chlorophenyl)ethylamino]-2-phenylpropanoic acid
CID 64558637
methyl 2-bromo-3-[1-(3-fluorophenyl)ethylamino]propanoate
CID 103245889
4-[[(1R)-1-(3-fluorophenyl)ethyl]amino]butanoic acid
CID 81365721
3-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-2-phenylpropanenitrile
CID 81365300
2-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]benzoic acid
CID 103258765
(2S)-4-[[(1R)-1-(3-fluorophenyl)ethyl]amino]butan-2-ol
CID 96787699
3-ethyl-1-[1-(3-fluorophenyl)ethylamino]pentan-2-ol
CID 113261396
3-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-phenylpropanoic acid
CID 81399651

Frequently Asked Questions

What is the IUPAC name of 3-[[(1R)-1-(3-fluorophenyl)ethyl]amino]-2-phenylpropanoic acid?
The IUPAC name of 3-[[(1R)-1-(3-fluorophenyl)ethyl]amino]-2-phenylpropanoic acid (CID 81351937) is 3-[[(1R)-1-(3-fluorophenyl)ethyl]amino]-2-phenylpropanoic acid.
What is the SMILES notation for 3-[[(1R)-1-(3-fluorophenyl)ethyl]amino]-2-phenylpropanoic acid?
The canonical SMILES for 3-[[(1R)-1-(3-fluorophenyl)ethyl]amino]-2-phenylpropanoic acid is C[C@@H](NCC(C(=O)O)c1ccccc1)c1cccc(F)c1.
What is the InChIKey of 3-[[(1R)-1-(3-fluorophenyl)ethyl]amino]-2-phenylpropanoic acid?
The InChIKey is NLVQJAVRUXNXST-ZGTOLYCTSA-N. The full InChI is InChI=1S/C17H18FNO2/c1-12(14-8-5-9-15(18)10-14)19-11-16(17(20)21)13-6-3-2-4-7-13/h2-10,12,16,19H,11H2,1H3,(H,20,21)/t12-,16?/m1/s1.
What are the key properties of 3-[[(1R)-1-(3-fluorophenyl)ethyl]amino]-2-phenylpropanoic acid?
3-[[(1R)-1-(3-fluorophenyl)ethyl]amino]-2-phenylpropanoic acid has a molecular weight of 287.33 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1R)-1-(3-fluorophenyl)ethyl]amino]-2-phenylpropanoic acid is sourced from PubChem (CID 81351937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).