(1R,2S,4S)-2-amino-4-(7-methoxy-2-phenylquinolin-4-yl)oxycyclopentane-1-carboxylic acid

C22H22N2O4 — CID 69315373

IUPAC(1R,2S,4S)-2-amino-4-(7-methoxy-2-phenylquinolin-4-yl)oxycyclopentane-1-carboxylic acid
SMILESCOc1ccc2c(O[C@@H]3C[C@H](N)[C@H](C(=O)O)C3)cc(-c3ccccc3)nc2c1
InChIInChI=1S/C22H22N2O4/c1-27-14-7-8-16-20(11-14)24-19(13-5-3-2-4-6-13)12-21(16)28-15-9-17(22(25)26)18(23)10-15/h2-8,11-12,15,17-18H,9-10,23H2,1H3,(H,25,26)/t15-,17+,18-/m0/s1
InChIKeyQCGBGKOUKROVIB-JQHSSLGASA-N
MW378.43 g/mol
LogP3.48
Rot. Bonds5

About (1R,2S,4S)-2-amino-4-(7-methoxy-2-phenylquinolin-4-yl)oxycyclopentane-1-carboxylic acid

(1R,2S,4S)-2-amino-4-(7-methoxy-2-phenylquinolin-4-yl)oxycyclopentane-1-carboxylic acid (PubChem CID 69315373) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is (1R,2S,4S)-2-amino-4-(7-methoxy-2-phenylquinolin-4-yl)oxycyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name(1R,2S,4S)-2-amino-4-(7-methoxy-2-phenylquinolin-4-yl)oxycyclopentane-1-carboxylic acid
PubChem CID69315373
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC Name(1R,2S,4S)-2-amino-4-(7-methoxy-2-phenylquinolin-4-yl)oxycyclopentane-1-carboxylic acid
SMILESCOc1ccc2c(O[C@@H]3C[C@H](N)[C@H](C(=O)O)C3)cc(-c3ccccc3)nc2c1
InChIInChI=1S/C22H22N2O4/c1-27-14-7-8-16-20(11-14)24-19(13-5-3-2-4-6-13)12-21(16)28-15-9-17(22(25)26)18(23)10-15/h2-8,11-12,15,17-18H,9-10,23H2,1H3,(H,25,26)/t15-,17+,18-/m0/s1
InChIKeyQCGBGKOUKROVIB-JQHSSLGASA-N
XLogP3.48
TPSA94.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(1R,2S,4R)-2-acetamido-4-(7-methoxy-2-phenylquinolin-4-yl)oxycyclopentane-1-carboxylic acid
CID 59441103
(2S)-4-(7-methoxy-2-phenylquinolin-4-yl)oxy-1-methylsulfonylpyrrolidine-2-carboxylic acid
CID 143643438
4-(1-iodo-5-methylpyrrolidin-3-yl)oxy-7-methoxy-2-phenylquinoline
CID 143036531
1-[3-(7-methoxy-2-phenylquinolin-4-yl)oxypyrrolidin-1-yl]ethanone
CID 141203944
(2S)-1-(benzylcarbamoyl)-4-(7-methoxy-2-phenylquinolin-4-yl)oxypyrrolidine-2-carboxylic acid
CID 143643502
2-(cyclopropylcarbamoyl)-4-(7-methoxy-2-phenylquinolin-4-yl)oxypyrrolidine-1-carboxylic acid
CID 141060869
(7-methoxy-2-phenylquinolin-4-yl) hypofluorite
CID 143605848
tert-butyl (2S)-2-[[(1R,2R,4S)-2-[[(2S)-1-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]-4-(7-methoxy-2-phenylquinolin-4-yl)oxycyclopentanecarbonyl]amino]pentanoate
CID 130227884
tert-butyl (2S,4R)-2-(2-hydroxyacetyl)-4-(7-methoxy-2-phenylquinolin-4-yl)oxypyrrolidine-1-carboxylate
CID 58194889
(2S)-2-[[(1R,2R,4S)-2-[[(2R)-1-[[(1R)-1-cyclohexyl-2-methoxy-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]-4-(7-methoxy-2-phenylquinolin-4-yl)oxycyclopentanecarbonyl]amino]butanoic acid
CID 11308673
(2S,4R)-1-[(2S)-2-(cyclopentyloxycarbonylamino)-3,3-dimethylbutanoyl]-4-(7-methoxy-2-phenylquinolin-4-yl)oxypyrrolidine-2-carboxylic acid
CID 59127595
1-[3,3-dimethyl-2-(2-oxo-2-piperidin-1-ylethyl)butanoyl]-4-(7-methoxy-2-phenylquinolin-4-yl)oxypyrrolidine-2-carboxylic acid
CID 123817611

Frequently Asked Questions

What is the IUPAC name of (1R,2S,4S)-2-amino-4-(7-methoxy-2-phenylquinolin-4-yl)oxycyclopentane-1-carboxylic acid?
The IUPAC name of (1R,2S,4S)-2-amino-4-(7-methoxy-2-phenylquinolin-4-yl)oxycyclopentane-1-carboxylic acid (CID 69315373) is (1R,2S,4S)-2-amino-4-(7-methoxy-2-phenylquinolin-4-yl)oxycyclopentane-1-carboxylic acid.
What is the SMILES notation for (1R,2S,4S)-2-amino-4-(7-methoxy-2-phenylquinolin-4-yl)oxycyclopentane-1-carboxylic acid?
The canonical SMILES for (1R,2S,4S)-2-amino-4-(7-methoxy-2-phenylquinolin-4-yl)oxycyclopentane-1-carboxylic acid is COc1ccc2c(O[C@@H]3C[C@H](N)[C@H](C(=O)O)C3)cc(-c3ccccc3)nc2c1.
What is the InChIKey of (1R,2S,4S)-2-amino-4-(7-methoxy-2-phenylquinolin-4-yl)oxycyclopentane-1-carboxylic acid?
The InChIKey is QCGBGKOUKROVIB-JQHSSLGASA-N. The full InChI is InChI=1S/C22H22N2O4/c1-27-14-7-8-16-20(11-14)24-19(13-5-3-2-4-6-13)12-21(16)28-15-9-17(22(25)26)18(23)10-15/h2-8,11-12,15,17-18H,9-10,23H2,1H3,(H,25,26)/t15-,17+,18-/m0/s1.
What are the key properties of (1R,2S,4S)-2-amino-4-(7-methoxy-2-phenylquinolin-4-yl)oxycyclopentane-1-carboxylic acid?
(1R,2S,4S)-2-amino-4-(7-methoxy-2-phenylquinolin-4-yl)oxycyclopentane-1-carboxylic acid has a molecular weight of 378.43 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,4S)-2-amino-4-(7-methoxy-2-phenylquinolin-4-yl)oxycyclopentane-1-carboxylic acid is sourced from PubChem (CID 69315373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).