(2R)-2-[[3-(4-fluorophenyl)cyclobutyl]amino]-3-phenylpropanoic acid

C19H20FNO2 — CID 122037960

IUPAC(2R)-2-[[3-(4-fluorophenyl)cyclobutyl]amino]-3-phenylpropanoic acid
SMILESO=C(O)[C@@H](Cc1ccccc1)NC1CC(c2ccc(F)cc2)C1
InChIInChI=1S/C19H20FNO2/c20-16-8-6-14(7-9-16)15-11-17(12-15)21-18(19(22)23)10-13-4-2-1-3-5-13/h1-9,15,17-18,21H,10-12H2,(H,22,23)/t15?,17?,18-/m1/s1
InChIKeyHKOQCZYQHMPUEX-VMWRSERWSA-N
MW313.37 g/mol
LogP3.36
Rot. Bonds6

About (2R)-2-[[3-(4-fluorophenyl)cyclobutyl]amino]-3-phenylpropanoic acid

(2R)-2-[[3-(4-fluorophenyl)cyclobutyl]amino]-3-phenylpropanoic acid (PubChem CID 122037960) has the molecular formula C19H20FNO2 and a molecular weight of 313.37 g/mol. Its IUPAC name is (2R)-2-[[3-(4-fluorophenyl)cyclobutyl]amino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-[[3-(4-fluorophenyl)cyclobutyl]amino]-3-phenylpropanoic acid
PubChem CID122037960
Molecular FormulaC19H20FNO2
Molecular Weight313.37 g/mol
Exact Mass313.15
IUPAC Name(2R)-2-[[3-(4-fluorophenyl)cyclobutyl]amino]-3-phenylpropanoic acid
SMILESO=C(O)[C@@H](Cc1ccccc1)NC1CC(c2ccc(F)cc2)C1
InChIInChI=1S/C19H20FNO2/c20-16-8-6-14(7-9-16)15-11-17(12-15)21-18(19(22)23)10-13-4-2-1-3-5-13/h1-9,15,17-18,21H,10-12H2,(H,22,23)/t15?,17?,18-/m1/s1
InChIKeyHKOQCZYQHMPUEX-VMWRSERWSA-N
XLogP3.36
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[[3-(3-fluorophenyl)cyclobutyl]amino]-3-phenylpropanoic acid
CID 122037914
(2S)-3-phenyl-2-[[3-[4-(trifluoromethyl)phenyl]cyclopentyl]amino]propanoic acid
CID 122037539
2-[[3-(4-fluorophenyl)cyclobutyl]amino]hexanoic acid
CID 122039690
N-[1-(4-fluorophenyl)propan-2-yl]-3-phenylcyclobutan-1-amine
CID 62996135
(2R)-2-[(3-benzylcyclopentyl)amino]-3-phenylpropanoic acid
CID 122037860
(2R)-2-[[1-(2,4-difluorophenyl)piperidin-4-yl]amino]-3-phenylpropanoic acid
CID 122037935
(2S)-2-[[3-(4-fluorophenyl)cyclopentyl]amino]hexanoic acid
CID 122044721
(2R)-3-phenyl-2-[(4-propan-2-ylcyclohexyl)amino]propanoic acid
CID 122037958
(2S)-2-[2-(4-fluorobenzoyl)hydrazinyl]-3-phenylpropanoic acid
CID 171561206
(2S)-2-[[3-(3-methyl-2-pyridinyl)cyclohexyl]amino]-3-phenylpropanoic acid
CID 122037559
2-[[3-(4-fluorophenyl)cyclobutyl]amino]acetic acid
CID 43635152
2-[[3-(3-fluorophenyl)cyclobutyl]amino]hexanoic acid
CID 122039640

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[3-(4-fluorophenyl)cyclobutyl]amino]-3-phenylpropanoic acid?
The IUPAC name of (2R)-2-[[3-(4-fluorophenyl)cyclobutyl]amino]-3-phenylpropanoic acid (CID 122037960) is (2R)-2-[[3-(4-fluorophenyl)cyclobutyl]amino]-3-phenylpropanoic acid.
What is the SMILES notation for (2R)-2-[[3-(4-fluorophenyl)cyclobutyl]amino]-3-phenylpropanoic acid?
The canonical SMILES for (2R)-2-[[3-(4-fluorophenyl)cyclobutyl]amino]-3-phenylpropanoic acid is O=C(O)[C@@H](Cc1ccccc1)NC1CC(c2ccc(F)cc2)C1.
What is the InChIKey of (2R)-2-[[3-(4-fluorophenyl)cyclobutyl]amino]-3-phenylpropanoic acid?
The InChIKey is HKOQCZYQHMPUEX-VMWRSERWSA-N. The full InChI is InChI=1S/C19H20FNO2/c20-16-8-6-14(7-9-16)15-11-17(12-15)21-18(19(22)23)10-13-4-2-1-3-5-13/h1-9,15,17-18,21H,10-12H2,(H,22,23)/t15?,17?,18-/m1/s1.
What are the key properties of (2R)-2-[[3-(4-fluorophenyl)cyclobutyl]amino]-3-phenylpropanoic acid?
(2R)-2-[[3-(4-fluorophenyl)cyclobutyl]amino]-3-phenylpropanoic acid has a molecular weight of 313.37 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[3-(4-fluorophenyl)cyclobutyl]amino]-3-phenylpropanoic acid is sourced from PubChem (CID 122037960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).