3-[[1-(3-methoxyphenyl)cyclopentanecarbonyl]amino]-2-phenylpropanoic acid

C22H25NO4 — CID 119255048

IUPAC3-[[1-(3-methoxyphenyl)cyclopentanecarbonyl]amino]-2-phenylpropanoic acid
SMILESCOc1cccc(C2(C(=O)NCC(C(=O)O)c3ccccc3)CCCC2)c1
InChIInChI=1S/C22H25NO4/c1-27-18-11-7-10-17(14-18)22(12-5-6-13-22)21(26)23-15-19(20(24)25)16-8-3-2-4-9-16/h2-4,7-11,14,19H,5-6,12-13,15H2,1H3,(H,23,26)(H,24,25)
InChIKeyGASKBOMBAKQJKB-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.49
Rot. Bonds7

About 3-[[1-(3-methoxyphenyl)cyclopentanecarbonyl]amino]-2-phenylpropanoic acid

3-[[1-(3-methoxyphenyl)cyclopentanecarbonyl]amino]-2-phenylpropanoic acid (PubChem CID 119255048) has the molecular formula C22H25NO4 and a molecular weight of 367.45 g/mol. Its IUPAC name is 3-[[1-(3-methoxyphenyl)cyclopentanecarbonyl]amino]-2-phenylpropanoic acid.

Molecular Properties

Compound Name3-[[1-(3-methoxyphenyl)cyclopentanecarbonyl]amino]-2-phenylpropanoic acid
PubChem CID119255048
Molecular FormulaC22H25NO4
Molecular Weight367.45 g/mol
Exact Mass367.18
IUPAC Name3-[[1-(3-methoxyphenyl)cyclopentanecarbonyl]amino]-2-phenylpropanoic acid
SMILESCOc1cccc(C2(C(=O)NCC(C(=O)O)c3ccccc3)CCCC2)c1
InChIInChI=1S/C22H25NO4/c1-27-18-11-7-10-17(14-18)22(12-5-6-13-22)21(26)23-15-19(20(24)25)16-8-3-2-4-9-16/h2-4,7-11,14,19H,5-6,12-13,15H2,1H3,(H,23,26)(H,24,25)
InChIKeyGASKBOMBAKQJKB-UHFFFAOYSA-N
XLogP3.49
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(3-methoxyphenyl)cyclopentanecarbonyl]amino]propanoic acid
CID 119225858
N-(2-aminoethyl)-1-(3-methoxyphenyl)cyclopentane-1-carboxamide
CID 119383272
N-(2-amino-2-methylpropyl)-1-(3-methoxyphenyl)cyclopentane-1-carboxamide
CID 119627481
N-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide
CID 95268454
N-(3-methoxyphenyl)-1-phenylcyclopentane-1-carboxamide
CID 1455676
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-(4-fluorophenyl)cyclobutane-1-carboxamide
CID 55539130
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-1-phenylcyclobutane-1-carboxamide
CID 55526819
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(3-methoxyphenyl)cyclopentane-1-carboxamide
CID 120891099
3-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]-2-methylpropanoic acid
CID 119237635
N-[(3-hydroxycyclohexyl)methyl]-1-(3-methoxyphenyl)cyclopentane-1-carboxamide
CID 111460242
N-(1-aminohexan-2-yl)-1-(3-methoxyphenyl)cyclopentane-1-carboxamide
CID 119666253
(2R)-3-(2,2-dimethylpropanoylamino)-2-(3-methoxyphenyl)propanoic acid
CID 97262837

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(3-methoxyphenyl)cyclopentanecarbonyl]amino]-2-phenylpropanoic acid?
The IUPAC name of 3-[[1-(3-methoxyphenyl)cyclopentanecarbonyl]amino]-2-phenylpropanoic acid (CID 119255048) is 3-[[1-(3-methoxyphenyl)cyclopentanecarbonyl]amino]-2-phenylpropanoic acid.
What is the SMILES notation for 3-[[1-(3-methoxyphenyl)cyclopentanecarbonyl]amino]-2-phenylpropanoic acid?
The canonical SMILES for 3-[[1-(3-methoxyphenyl)cyclopentanecarbonyl]amino]-2-phenylpropanoic acid is COc1cccc(C2(C(=O)NCC(C(=O)O)c3ccccc3)CCCC2)c1.
What is the InChIKey of 3-[[1-(3-methoxyphenyl)cyclopentanecarbonyl]amino]-2-phenylpropanoic acid?
The InChIKey is GASKBOMBAKQJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO4/c1-27-18-11-7-10-17(14-18)22(12-5-6-13-22)21(26)23-15-19(20(24)25)16-8-3-2-4-9-16/h2-4,7-11,14,19H,5-6,12-13,15H2,1H3,(H,23,26)(H,24,25).
What are the key properties of 3-[[1-(3-methoxyphenyl)cyclopentanecarbonyl]amino]-2-phenylpropanoic acid?
3-[[1-(3-methoxyphenyl)cyclopentanecarbonyl]amino]-2-phenylpropanoic acid has a molecular weight of 367.45 g/mol, XLogP of 3.49, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(3-methoxyphenyl)cyclopentanecarbonyl]amino]-2-phenylpropanoic acid is sourced from PubChem (CID 119255048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).