(2R)-2-[(3-benzylcyclopentyl)amino]-3-phenylpropanoic acid

C21H25NO2 — CID 122037860

IUPAC(2R)-2-[(3-benzylcyclopentyl)amino]-3-phenylpropanoic acid
SMILESO=C(O)[C@@H](Cc1ccccc1)NC1CCC(Cc2ccccc2)C1
InChIInChI=1S/C21H25NO2/c23-21(24)20(15-17-9-5-2-6-10-17)22-19-12-11-18(14-19)13-16-7-3-1-4-8-16/h1-10,18-20,22H,11-15H2,(H,23,24)/t18?,19?,20-/m1/s1
InChIKeyPQGLIOMFBHZCLP-SOAGJPPSSA-N
MW323.44 g/mol
LogP3.68
Rot. Bonds7

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

(2R)-2-[(3-benzylcyclopentyl)amino]-3-phenylpropanoic acid (PubChem CID 122037860) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is (2R)-2-[(3-benzylcyclopentyl)amino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-[(3-benzylcyclopentyl)amino]-3-phenylpropanoic acid
PubChem CID122037860
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC Name(2R)-2-[(3-benzylcyclopentyl)amino]-3-phenylpropanoic acid
SMILESO=C(O)[C@@H](Cc1ccccc1)NC1CCC(Cc2ccccc2)C1
InChIInChI=1S/C21H25NO2/c23-21(24)20(15-17-9-5-2-6-10-17)22-19-12-11-18(14-19)13-16-7-3-1-4-8-16/h1-10,18-20,22H,11-15H2,(H,23,24)/t18?,19?,20-/m1/s1
InChIKeyPQGLIOMFBHZCLP-SOAGJPPSSA-N
XLogP3.68
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-3-phenyl-2-[(4-propan-2-ylcyclohexyl)amino]propanoic acid
CID 122037958
2-(cyclopropylamino)-3-phenylpropanamide
CID 60796180
(2S)-3-phenyl-2-[[3-[4-(trifluoromethyl)phenyl]cyclopentyl]amino]propanoic acid
CID 122037539
2-(cyclopropylamino)-3-(4-ethylphenyl)propanoic acid
CID 112514377
(2R)-2-[[4-(1,3-dioxoisoindol-2-yl)cyclohexyl]amino]-3-phenylpropanoic acid
CID 122037836
(2R)-2-[[3-(4-fluorophenyl)cyclobutyl]amino]-3-phenylpropanoic acid
CID 122037960
2-(cyclopropylamino)-4-phenylbutanoic acid
CID 62880586
N,3-dibenzylcyclopentan-1-amine
CID 123575298
(2S)-2-[[3-(3-methyl-2-pyridinyl)cyclohexyl]amino]-3-phenylpropanoic acid
CID 122037559
2-(cyclopentylamino)-3-(4-hydroxyphenyl)propanoic acid
CID 18352519
(2S)-2-[2-[(1S)-1-carboxy-2-phenylethyl]hydrazinyl]-3-phenylpropanoic acid
CID 11989622
(2R)-2-[(4-methylcyclohexyl)methylamino]-3-phenylpropanoic acid
CID 99779349

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3-benzylcyclopentyl)amino]-3-phenylpropanoic acid?
The IUPAC name of (2R)-2-[(3-benzylcyclopentyl)amino]-3-phenylpropanoic acid (CID 122037860) is (2R)-2-[(3-benzylcyclopentyl)amino]-3-phenylpropanoic acid.
What is the SMILES notation for (2R)-2-[(3-benzylcyclopentyl)amino]-3-phenylpropanoic acid?
The canonical SMILES for (2R)-2-[(3-benzylcyclopentyl)amino]-3-phenylpropanoic acid is O=C(O)[C@@H](Cc1ccccc1)NC1CCC(Cc2ccccc2)C1.
What is the InChIKey of (2R)-2-[(3-benzylcyclopentyl)amino]-3-phenylpropanoic acid?
The InChIKey is PQGLIOMFBHZCLP-SOAGJPPSSA-N. The full InChI is InChI=1S/C21H25NO2/c23-21(24)20(15-17-9-5-2-6-10-17)22-19-12-11-18(14-19)13-16-7-3-1-4-8-16/h1-10,18-20,22H,11-15H2,(H,23,24)/t18?,19?,20-/m1/s1.
What are the key properties of (2R)-2-[(3-benzylcyclopentyl)amino]-3-phenylpropanoic acid?
(2R)-2-[(3-benzylcyclopentyl)amino]-3-phenylpropanoic acid has a molecular weight of 323.44 g/mol, XLogP of 3.68, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3-benzylcyclopentyl)amino]-3-phenylpropanoic acid is sourced from PubChem (CID 122037860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).