cyclopentyl-[(3S)-3-[[(2R)-1-(2-methoxyphenyl)propan-2-yl]amino]pyrrolidin-1-yl]methanone

C20H30N2O2 — CID 97323732

IUPACcyclopentyl-[(3S)-3-[[(2R)-1-(2-methoxyphenyl)propan-2-yl]amino]pyrrolidin-1-yl]methanone
SMILESCOc1ccccc1C[C@@H](C)N[C@H]1CCN(C(=O)C2CCCC2)C1
InChIInChI=1S/C20H30N2O2/c1-15(13-17-9-5-6-10-19(17)24-2)21-18-11-12-22(14-18)20(23)16-7-3-4-8-16/h5-6,9-10,15-16,18,21H,3-4,7-8,11-14H2,1-2H3/t15-,18+/m1/s1
InChIKeyKBJMRIOUBRYYHK-QAPCUYQASA-N
MW330.47 g/mol
LogP3.01
Rot. Bonds6

About cyclopentyl-[(3S)-3-[[(2R)-1-(2-methoxyphenyl)propan-2-yl]amino]pyrrolidin-1-yl]methanone

cyclopentyl-[(3S)-3-[[(2R)-1-(2-methoxyphenyl)propan-2-yl]amino]pyrrolidin-1-yl]methanone (PubChem CID 97323732) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is cyclopentyl-[(3S)-3-[[(2R)-1-(2-methoxyphenyl)propan-2-yl]amino]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[(3S)-3-[[(2R)-1-(2-methoxyphenyl)propan-2-yl]amino]pyrrolidin-1-yl]methanone
PubChem CID97323732
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Namecyclopentyl-[(3S)-3-[[(2R)-1-(2-methoxyphenyl)propan-2-yl]amino]pyrrolidin-1-yl]methanone
SMILESCOc1ccccc1C[C@@H](C)N[C@H]1CCN(C(=O)C2CCCC2)C1
InChIInChI=1S/C20H30N2O2/c1-15(13-17-9-5-6-10-19(17)24-2)21-18-11-12-22(14-18)20(23)16-7-3-4-8-16/h5-6,9-10,15-16,18,21H,3-4,7-8,11-14H2,1-2H3/t15-,18+/m1/s1
InChIKeyKBJMRIOUBRYYHK-QAPCUYQASA-N
XLogP3.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopentyl-[(3S)-3-[[(2S)-1-(2-methoxyphenyl)propan-2-yl]amino]pyrrolidin-1-yl]methanone
CID 97323731
(3S)-1-N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]pyrrolidine-1,3-dicarboxamide
CID 95579656
cyclopentyl-[(3S)-3-[[(1R)-1-[2-(dimethylamino)phenyl]ethyl]amino]pyrrolidin-1-yl]methanone
CID 97160771
cyclopentyl-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 110398973
(3S)-4-(2-methoxyphenyl)-3-methyl-1-[(3S)-3-(methylamino)piperidin-1-yl]butan-1-one
CID 124574688
cyclopentyl-[3-[1-(2,4-dimethoxyphenyl)ethylamino]pyrrolidin-1-yl]methanone
CID 86779556
1-N-[1-(2-methoxyphenyl)propan-2-yl]piperidine-1,4-dicarboxamide
CID 56798078
N-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-2-methoxybenzamide
CID 110871467
N-[1-(2-methoxyphenyl)propan-2-yl]-2,3-dihydro-1H-inden-2-amine
CID 60935059
N-[(3S)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-2-(2-hydroxyphenyl)acetamide
CID 97014157
N-[1-(2-methoxyphenyl)propan-2-yl]-4-methylcycloheptan-1-amine
CID 65079928
N-[1-(2-methoxyphenyl)propan-2-yl]-3-methylcyclopentan-1-amine
CID 64501539

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[(3S)-3-[[(2R)-1-(2-methoxyphenyl)propan-2-yl]amino]pyrrolidin-1-yl]methanone?
The IUPAC name of cyclopentyl-[(3S)-3-[[(2R)-1-(2-methoxyphenyl)propan-2-yl]amino]pyrrolidin-1-yl]methanone (CID 97323732) is cyclopentyl-[(3S)-3-[[(2R)-1-(2-methoxyphenyl)propan-2-yl]amino]pyrrolidin-1-yl]methanone.
What is the SMILES notation for cyclopentyl-[(3S)-3-[[(2R)-1-(2-methoxyphenyl)propan-2-yl]amino]pyrrolidin-1-yl]methanone?
The canonical SMILES for cyclopentyl-[(3S)-3-[[(2R)-1-(2-methoxyphenyl)propan-2-yl]amino]pyrrolidin-1-yl]methanone is COc1ccccc1C[C@@H](C)N[C@H]1CCN(C(=O)C2CCCC2)C1.
What is the InChIKey of cyclopentyl-[(3S)-3-[[(2R)-1-(2-methoxyphenyl)propan-2-yl]amino]pyrrolidin-1-yl]methanone?
The InChIKey is KBJMRIOUBRYYHK-QAPCUYQASA-N. The full InChI is InChI=1S/C20H30N2O2/c1-15(13-17-9-5-6-10-19(17)24-2)21-18-11-12-22(14-18)20(23)16-7-3-4-8-16/h5-6,9-10,15-16,18,21H,3-4,7-8,11-14H2,1-2H3/t15-,18+/m1/s1.
What are the key properties of cyclopentyl-[(3S)-3-[[(2R)-1-(2-methoxyphenyl)propan-2-yl]amino]pyrrolidin-1-yl]methanone?
cyclopentyl-[(3S)-3-[[(2R)-1-(2-methoxyphenyl)propan-2-yl]amino]pyrrolidin-1-yl]methanone has a molecular weight of 330.47 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[(3S)-3-[[(2R)-1-(2-methoxyphenyl)propan-2-yl]amino]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 97323732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).