[(1R,3S)-3-aminocyclopentyl]-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone

C15H20N2O2 — CID 124515765

IUPAC[(1R,3S)-3-aminocyclopentyl]-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone
SMILESN[C@H]1CC[C@@H](C(=O)N2CCOc3ccccc3C2)C1
InChIInChI=1S/C15H20N2O2/c16-13-6-5-11(9-13)15(18)17-7-8-19-14-4-2-1-3-12(14)10-17/h1-4,11,13H,5-10,16H2/t11-,13+/m1/s1
InChIKeyVNARBPZONBSUDR-YPMHNXCESA-N
MW260.34 g/mol
LogP1.53
Rot. Bonds1

About [(1R,3S)-3-aminocyclopentyl]-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone

[(1R,3S)-3-aminocyclopentyl]-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone (PubChem CID 124515765) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is [(1R,3S)-3-aminocyclopentyl]-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone.

Molecular Properties

Compound Name[(1R,3S)-3-aminocyclopentyl]-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone
PubChem CID124515765
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name[(1R,3S)-3-aminocyclopentyl]-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone
SMILESN[C@H]1CC[C@@H](C(=O)N2CCOc3ccccc3C2)C1
InChIInChI=1S/C15H20N2O2/c16-13-6-5-11(9-13)15(18)17-7-8-19-14-4-2-1-3-12(14)10-17/h1-4,11,13H,5-10,16H2/t11-,13+/m1/s1
InChIKeyVNARBPZONBSUDR-YPMHNXCESA-N
XLogP1.53
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(1R,3S)-3-aminocyclopentyl]-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone with MolForge

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Related Compounds

3-(3,5-dihydro-2H-1,4-benzoxazepine-4-carbonyl)cyclopentane-1-carboxylic acid
CID 103550512
(3-aminocyclopentyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 66030477
(2-aminocyclopentyl)-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone
CID 64824026
3,5-dihydro-2H-1,4-benzoxazepin-4-yl-[(2S)-1-[(1R,2R)-2-methylcyclopropanecarbonyl]piperidin-2-yl]methanone
CID 124742456
3,5-dihydro-2H-1,4-benzoxazepin-4-yl-(4-methylpiperidin-1-yl)methanone
CID 116655908
2-(3-aminocyclopentanecarbonyl)-3,4-dihydro-1H-isoquinoline-4-carboxylic acid
CID 66010697
ethyl 3,5-dihydro-2H-1,4-benzoxazepine-4-carboxylate
CID 61068779
4-(3,5-dihydro-2H-1,4-benzoxazepine-4-carbonyl)-1-prop-2-enylpyrrolidin-2-one
CID 131946642
N'-amino-3,5-dihydro-2H-1,4-benzoxazepine-4-carboximidamide
CID 77054123
3,5-dihydro-2H-1,4-benzoxazepin-4-yl-(2-hydroxyphenyl)methanone
CID 61149413
2-bromo-1-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propan-1-one
CID 107904804
[(1S,3S)-3-aminocyclopentyl]-pyrrolidin-1-ylmethanone
CID 97030843

Frequently Asked Questions

What is the IUPAC name of [(1R,3S)-3-aminocyclopentyl]-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone?
The IUPAC name of [(1R,3S)-3-aminocyclopentyl]-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone (CID 124515765) is [(1R,3S)-3-aminocyclopentyl]-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone.
What is the SMILES notation for [(1R,3S)-3-aminocyclopentyl]-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone?
The canonical SMILES for [(1R,3S)-3-aminocyclopentyl]-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone is N[C@H]1CC[C@@H](C(=O)N2CCOc3ccccc3C2)C1.
What is the InChIKey of [(1R,3S)-3-aminocyclopentyl]-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone?
The InChIKey is VNARBPZONBSUDR-YPMHNXCESA-N. The full InChI is InChI=1S/C15H20N2O2/c16-13-6-5-11(9-13)15(18)17-7-8-19-14-4-2-1-3-12(14)10-17/h1-4,11,13H,5-10,16H2/t11-,13+/m1/s1.
What are the key properties of [(1R,3S)-3-aminocyclopentyl]-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone?
[(1R,3S)-3-aminocyclopentyl]-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone has a molecular weight of 260.34 g/mol, XLogP of 1.53, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3S)-3-aminocyclopentyl]-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone is sourced from PubChem (CID 124515765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).