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

C19H20FNO2 — CID 122037914

IUPAC(2R)-2-[[3-(3-fluorophenyl)cyclobutyl]amino]-3-phenylpropanoic acid
SMILESO=C(O)[C@@H](Cc1ccccc1)NC1CC(c2cccc(F)c2)C1
InChIInChI=1S/C19H20FNO2/c20-16-8-4-7-14(10-16)15-11-17(12-15)21-18(19(22)23)9-13-5-2-1-3-6-13/h1-8,10,15,17-18,21H,9,11-12H2,(H,22,23)/t15?,17?,18-/m1/s1
InChIKeyXPXXJYHZJVBJEO-VMWRSERWSA-N
MW313.37 g/mol
LogP3.36
Rot. Bonds6

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

(2R)-2-[[3-(3-fluorophenyl)cyclobutyl]amino]-3-phenylpropanoic acid (PubChem CID 122037914) has the molecular formula C19H20FNO2 and a molecular weight of 313.37 g/mol. Its IUPAC name is (2R)-2-[[3-(3-fluorophenyl)cyclobutyl]amino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-[[3-(3-fluorophenyl)cyclobutyl]amino]-3-phenylpropanoic acid
PubChem CID122037914
Molecular FormulaC19H20FNO2
Molecular Weight313.37 g/mol
Exact Mass313.15
IUPAC Name(2R)-2-[[3-(3-fluorophenyl)cyclobutyl]amino]-3-phenylpropanoic acid
SMILESO=C(O)[C@@H](Cc1ccccc1)NC1CC(c2cccc(F)c2)C1
InChIInChI=1S/C19H20FNO2/c20-16-8-4-7-14(10-16)15-11-17(12-15)21-18(19(22)23)9-13-5-2-1-3-6-13/h1-8,10,15,17-18,21H,9,11-12H2,(H,22,23)/t15?,17?,18-/m1/s1
InChIKeyXPXXJYHZJVBJEO-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-(4-fluorophenyl)cyclobutyl]amino]-3-phenylpropanoic acid
CID 122037960
3-(3-fluorophenyl)-N-(1-phenylpropan-2-yl)cyclobutan-1-amine
CID 63010559
2-[[3-(3-fluorophenyl)cyclobutyl]amino]hexanoic acid
CID 122039640
(2R)-2-[[1-(2,4-difluorophenyl)piperidin-4-yl]amino]-3-phenylpropanoic acid
CID 122037935
2-[[3-(3-fluorophenyl)cyclobutyl]amino]propanamide
CID 43635571
3-(3-fluorophenyl)-N-(1-phenylpropyl)cyclobutan-1-amine
CID 62304356
(2S)-3-phenyl-2-[[3-[4-(trifluoromethyl)phenyl]cyclopentyl]amino]propanoic acid
CID 122037539
(2S)-2-[(2-amino-3-phenylpropanoyl)amino]-3-(3-fluorophenyl)propanoic acid
CID 135362369
N-[3-(3-fluorophenyl)cyclobutyl]hydroxylamine
CID 82686213
(2S)-2-(fluoroamino)-3-(3-fluorophenyl)propanoic acid
CID 172693012
2-[[3-(3-fluorophenyl)cyclobutyl]amino]benzoic acid
CID 43635194
3-(3-fluorophenyl)cyclobutane-1-carboxylic acid
CID 47002918

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[3-(3-fluorophenyl)cyclobutyl]amino]-3-phenylpropanoic acid?
The IUPAC name of (2R)-2-[[3-(3-fluorophenyl)cyclobutyl]amino]-3-phenylpropanoic acid (CID 122037914) is (2R)-2-[[3-(3-fluorophenyl)cyclobutyl]amino]-3-phenylpropanoic acid.
What is the SMILES notation for (2R)-2-[[3-(3-fluorophenyl)cyclobutyl]amino]-3-phenylpropanoic acid?
The canonical SMILES for (2R)-2-[[3-(3-fluorophenyl)cyclobutyl]amino]-3-phenylpropanoic acid is O=C(O)[C@@H](Cc1ccccc1)NC1CC(c2cccc(F)c2)C1.
What is the InChIKey of (2R)-2-[[3-(3-fluorophenyl)cyclobutyl]amino]-3-phenylpropanoic acid?
The InChIKey is XPXXJYHZJVBJEO-VMWRSERWSA-N. The full InChI is InChI=1S/C19H20FNO2/c20-16-8-4-7-14(10-16)15-11-17(12-15)21-18(19(22)23)9-13-5-2-1-3-6-13/h1-8,10,15,17-18,21H,9,11-12H2,(H,22,23)/t15?,17?,18-/m1/s1.
What are the key properties of (2R)-2-[[3-(3-fluorophenyl)cyclobutyl]amino]-3-phenylpropanoic acid?
(2R)-2-[[3-(3-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-(3-fluorophenyl)cyclobutyl]amino]-3-phenylpropanoic acid is sourced from PubChem (CID 122037914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).