2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)cyclopentane-1-carboxylic acid

C15H19NO3 — CID 55160402

IUPAC2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1N1CCOc2ccccc2C1
InChIInChI=1S/C15H19NO3/c17-15(18)12-5-3-6-13(12)16-8-9-19-14-7-2-1-4-11(14)10-16/h1-2,4,7,12-13H,3,5-6,8-10H2,(H,17,18)
InChIKeyZOQBCNDNHZWVHV-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.13
Rot. Bonds2

About 2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)cyclopentane-1-carboxylic acid

2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)cyclopentane-1-carboxylic acid (PubChem CID 55160402) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)cyclopentane-1-carboxylic acid
PubChem CID55160402
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1N1CCOc2ccccc2C1
InChIInChI=1S/C15H19NO3/c17-15(18)12-5-3-6-13(12)16-8-9-19-14-7-2-1-4-11(14)10-16/h1-2,4,7,12-13H,3,5-6,8-10H2,(H,17,18)
InChIKeyZOQBCNDNHZWVHV-UHFFFAOYSA-N
XLogP2.13
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)cyclopentane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,4-dihydro-1H-isoquinolin-2-yl)cycloheptane-1-carboxylic acid
CID 63067209
(2-aminocyclopentyl)-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone
CID 64824026
3-(3,5-dihydro-2H-1,4-benzoxazepine-4-carbonyl)cyclopentane-1-carboxylic acid
CID 103550512
4-(4-methylpyrrolidin-3-yl)-3,5-dihydro-2H-1,4-benzoxazepine
CID 81460833
4-piperidin-4-yl-3,5-dihydro-2H-1,4-benzoxazepine
CID 55159660
4-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-1,1-dioxothiolan-3-amine
CID 63189467
4-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)benzoic acid
CID 63193098
3,5-dihydro-2H-1,4-benzoxazepin-4-yl-(4-methylpiperidin-1-yl)methanone
CID 116655908
2-(3,4-dihydro-2H-quinolin-1-yl)cyclopentane-1-carboxylic acid
CID 63068563
4-(5-methylpiperidin-3-yl)-3,5-dihydro-2H-1,4-benzoxazepine
CID 113296932
1,2,3,5,6,7,8,8a-octahydroindolizine-8-carboxylic acid
CID 75987984
2-(4-methylpiperazin-1-yl)cyclopentane-1-carboxylic acid
CID 63069445

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)cyclopentane-1-carboxylic acid?
The IUPAC name of 2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)cyclopentane-1-carboxylic acid (CID 55160402) is 2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)cyclopentane-1-carboxylic acid is O=C(O)C1CCCC1N1CCOc2ccccc2C1.
What is the InChIKey of 2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)cyclopentane-1-carboxylic acid?
The InChIKey is ZOQBCNDNHZWVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c17-15(18)12-5-3-6-13(12)16-8-9-19-14-7-2-1-4-11(14)10-16/h1-2,4,7,12-13H,3,5-6,8-10H2,(H,17,18).
What are the key properties of 2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)cyclopentane-1-carboxylic acid?
2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)cyclopentane-1-carboxylic acid has a molecular weight of 261.32 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 55160402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).