(1-aminocyclopentyl)-[(3R,4R)-3-hydroxy-4-[(4-methoxyphenyl)methyl-methylamino]pyrrolidin-1-yl]methanone

C19H29N3O3 — CID 110108715

IUPAC(1-aminocyclopentyl)-[(3R,4R)-3-hydroxy-4-[(4-methoxyphenyl)methyl-methylamino]pyrrolidin-1-yl]methanone
SMILESCOc1ccc(CN(C)[C@@H]2CN(C(=O)C3(N)CCCC3)C[C@H]2O)cc1
InChIInChI=1S/C19H29N3O3/c1-21(11-14-5-7-15(25-2)8-6-14)16-12-22(13-17(16)23)18(24)19(20)9-3-4-10-19/h5-8,16-17,23H,3-4,9-13,20H2,1-2H3/t16-,17-/m1/s1
InChIKeyGJWLJZVDIMMEGQ-IAGOWNOFSA-N
MW347.46 g/mol
LogP0.97
Rot. Bonds5

About (1-aminocyclopentyl)-[(3R,4R)-3-hydroxy-4-[(4-methoxyphenyl)methyl-methylamino]pyrrolidin-1-yl]methanone

(1-aminocyclopentyl)-[(3R,4R)-3-hydroxy-4-[(4-methoxyphenyl)methyl-methylamino]pyrrolidin-1-yl]methanone (PubChem CID 110108715) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is (1-aminocyclopentyl)-[(3R,4R)-3-hydroxy-4-[(4-methoxyphenyl)methyl-methylamino]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(1-aminocyclopentyl)-[(3R,4R)-3-hydroxy-4-[(4-methoxyphenyl)methyl-methylamino]pyrrolidin-1-yl]methanone
PubChem CID110108715
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name(1-aminocyclopentyl)-[(3R,4R)-3-hydroxy-4-[(4-methoxyphenyl)methyl-methylamino]pyrrolidin-1-yl]methanone
SMILESCOc1ccc(CN(C)[C@@H]2CN(C(=O)C3(N)CCCC3)C[C@H]2O)cc1
InChIInChI=1S/C19H29N3O3/c1-21(11-14-5-7-15(25-2)8-6-14)16-12-22(13-17(16)23)18(24)19(20)9-3-4-10-19/h5-8,16-17,23H,3-4,9-13,20H2,1-2H3/t16-,17-/m1/s1
InChIKeyGJWLJZVDIMMEGQ-IAGOWNOFSA-N
XLogP0.97
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-amino-N-[(4-methoxyphenyl)methyl]-N-methylcyclopentane-1-carboxamide
CID 54869116
1-amino-N-[(4-methoxyphenyl)methyl]-N-methylcyclopropane-1-carboxamide
CID 65465742
tert-butyl 2-[[(3S,4R)-4-hydroxy-1-[1-(4-methoxyphenyl)cyclopentanecarbonyl]pyrrolidin-3-yl]-methylamino]acetate
CID 124886296
2-(1-aminocyclopentyl)-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 64684478
1-amino-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 65466614
[(3R,4R)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-(4-methoxyphenyl)methanone
CID 110107932
1-amino-N-[4-(4-methoxyphenyl)butan-2-yl]cyclopentane-1-carboxamide
CID 119288107
(4-methoxyphenyl)methyl 1-aminocycloheptane-1-carboxylate
CID 61304508
1-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 119306909
2-[1-(aminomethyl)cyclobutyl]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 81172310
1-(3-hydroxyazetidin-1-yl)-2-(4-methoxyphenyl)ethanone
CID 63106560
1-amino-N-[(4-fluorophenyl)methyl]-N-methylcyclopentane-1-carboxamide;hydrochloride
CID 119268138

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclopentyl)-[(3R,4R)-3-hydroxy-4-[(4-methoxyphenyl)methyl-methylamino]pyrrolidin-1-yl]methanone?
The IUPAC name of (1-aminocyclopentyl)-[(3R,4R)-3-hydroxy-4-[(4-methoxyphenyl)methyl-methylamino]pyrrolidin-1-yl]methanone (CID 110108715) is (1-aminocyclopentyl)-[(3R,4R)-3-hydroxy-4-[(4-methoxyphenyl)methyl-methylamino]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (1-aminocyclopentyl)-[(3R,4R)-3-hydroxy-4-[(4-methoxyphenyl)methyl-methylamino]pyrrolidin-1-yl]methanone?
The canonical SMILES for (1-aminocyclopentyl)-[(3R,4R)-3-hydroxy-4-[(4-methoxyphenyl)methyl-methylamino]pyrrolidin-1-yl]methanone is COc1ccc(CN(C)[C@@H]2CN(C(=O)C3(N)CCCC3)C[C@H]2O)cc1.
What is the InChIKey of (1-aminocyclopentyl)-[(3R,4R)-3-hydroxy-4-[(4-methoxyphenyl)methyl-methylamino]pyrrolidin-1-yl]methanone?
The InChIKey is GJWLJZVDIMMEGQ-IAGOWNOFSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-21(11-14-5-7-15(25-2)8-6-14)16-12-22(13-17(16)23)18(24)19(20)9-3-4-10-19/h5-8,16-17,23H,3-4,9-13,20H2,1-2H3/t16-,17-/m1/s1.
What are the key properties of (1-aminocyclopentyl)-[(3R,4R)-3-hydroxy-4-[(4-methoxyphenyl)methyl-methylamino]pyrrolidin-1-yl]methanone?
(1-aminocyclopentyl)-[(3R,4R)-3-hydroxy-4-[(4-methoxyphenyl)methyl-methylamino]pyrrolidin-1-yl]methanone has a molecular weight of 347.46 g/mol, XLogP of 0.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclopentyl)-[(3R,4R)-3-hydroxy-4-[(4-methoxyphenyl)methyl-methylamino]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 110108715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).